SCHEMBL746788

SCHEMBL746788

CC1(C)CNCCN1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 1/20 0.44
USP2 O75604 4/20 0.41
CYP2D6 P10635 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.36

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 SCHEMBL6830556 0.98 ADRB1 (0.46) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL27419645 0.86 ADRB1 (0.44) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL7647236 0.84 ADRB1 (0.52) ADRB1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL4487460 0.82 ADRB1 (0.50) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL38662505 0.82 ADRB2 (0.50) HTR2AHTR2CHTR2BUSP2CYP2D6
SCHEMBL7940843 0.82 HTR2B (0.36) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL8797791 0.82 ADRB1 (0.44) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL7943366 0.82 MAPT (0.38) ADRB1SIGMAR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL6374876 0.81 ADRB1 (0.49) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL23777713 0.80 HTR3E (0.55) ADRB1SIGMAR1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1557411-B1 N-PHENYL-(2R,5S)DIMETHYLPIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2012-10-17 EP claimed
CN-114404588-A Compounds and methods for inhibiting phosphate transport 阿德利克斯公司 2022-04-29 CN disclosed
CN-105979959-B Compounds and methods for inhibiting phosphate transport 阿德利克斯公司 2021-11-30 CN disclosed
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 US disclosed
CN-111093648-A Compositions and methods for treating myopia 艾伦实验室股份有限公司 2020-05-01 CN disclosed
EP-3363645-B1 PRETREATMENT OF UV CURED INK UNDER-LAYERS XEROX CORP (US) 2019-10-23 EP disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
EP-3375621-A2 TWO COMPONENT INK JETTABLE PRIMER AND INCORPORATION OF ADHESION PROMOTER TO THE INK FOR PRINTING ONTO 3D OBJECTS Xerox Corporation (US) 2018-09-19 EP 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-20130197009-A1 ANTAGONIST FOR MUTANT ANDROGEN RECEPTOR ASTELLAS PHARMA INC. (JP) 2013-08-01 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-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
EP-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 WO disclosed
US-4925848-A ANALGESICS, SIDE EFFECT REDUCTION RECKITT & COLMAN PRODUCTS LIMITED (GB) 1990-05-15 US disclosed
EP-0295783-A2 A derivative of codeine RECKITT AND COLMAN PRODUCTS LIMITED (GB) 1988-12-21 EP 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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR ADRB1 4438/4885SIGMAR1 1261/4885HTR3E 2611/4885
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 ADRB1 248/4885SIGMAR1 334/4885HTR3E 150/4885
US-20130197009-A1 ANTAGONIST FOR MUTANT ANDROGEN RECEPTOR AR, NR5A1, NR5A2 ADRB1 73/4885SIGMAR1 1482/4885HTR3E 1053/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR ADRB1 4438/4885SIGMAR1 1261/4885HTR3E 2611/4885
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 ADRB1 249/4885SIGMAR1 330/4885HTR3E 98/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR ADRB1 4438/4885SIGMAR1 1261/4885HTR3E 2611/4885

“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.