SCHEMBL746867

SCHEMBL746867

CC1(c2ccccn2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 5/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 4/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
USP2 O75604 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLD1 Q13393 1/20 0.41
SLC6A2 P23975 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
OPRM1 P35372 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5874289 0.88 SLC6A2 (0.40) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5874197 0.88 SLC6A2 (0.40) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL1515317 0.86 GRIN1 (0.46) CYP1A2MEN1KMT2ASLC6A2GRIN1
SCHEMBL1515509 0.82 GRIN1 (0.47) CYP1A2MEN1KMT2ASLC6A2GRIN1
SCHEMBL21989897 0.81 SLC6A2 (0.45) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL29658709 0.81 SLC6A2 (0.45) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL4477246 0.80 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL6887227 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL29602661 0.78 OPRM1 (0.53) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6
SCHEMBL171507 0.78 OPRM1 (0.53) ALDH1A1HSD17B10HPGDCYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352357-B2 Cycloalkylurea derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-07 US disclosed
US-10071095-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2018-09-11 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2016-03-10 US disclosed
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2016-03-10 US disclosed
US-9226930-B2 1,2,4-triazolo [4,3-a] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2016-01-05 US disclosed
US-9226930-B2 1,2,4-triazolo [4,3-a] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2016-01-05 US disclosed
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
CN-102439008-A 1,2, 3-triazolo [4,3-a ] pyridine derivatives and their use for the treatment or prevention of neurological and psychiatric disorders ORTHO MCNEIL JANSSEN PHARM 2012-05-02 CN disclosed
EP-2430022-A1 1,2,3-TRIAZOLO Ý4,3-A¨PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS Janssen Pharmaceuticals, Inc. (US) 2012-03-21 EP disclosed
WO-2010130424-A9 1,2,4-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-27 WO disclosed
WO-2010130424-A9 1,2,4-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-27 WO disclosed
WO-2010130424-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
WO-2010130424-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB ALDH1A1 1551/4885HSD17B10 3056/4885HPGD 1100/4885
US-10071095-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of neurological and psychiatric disorders GRM2, GRM1, GRIA2 ALDH1A1 2051/4885HSD17B10 2081/4885HPGD 1818/4885
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRM2, GRM3, GRM1 ALDH1A1 1608/4885HSD17B10 1868/4885HPGD 1710/4885
US-11352357-B2 Cycloalkylurea derivative HCRTR2, HCRTR1, CRHR2 ALDH1A1 2531/4885HSD17B10 2701/4885HPGD 2437/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C ALDH1A1 1997/4885HSD17B10 2130/4885HPGD 1873/4885
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders GRM2, GRM1, GRIN2C ALDH1A1 1997/4885HSD17B10 2130/4885HPGD 1873/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.