SCHEMBL6924587

SCHEMBL6924587

CN1CCN(C2CCC(C(F)(F)F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HRH3 Q9Y5N1 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 0.33
OPRL1 P41146 3/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TACR1 P25103 1/20 0.32
SLC6A4 P31645 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIM1 P11309 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6926895 1.00 ALDH1A1 (0.42) ALDH1A1HRH3MEN1KMT2AIRAK4
SCHEMBL10819364 1.00 ALDH1A1 (0.42) ALDH1A1HRH3MEN1KMT2AIRAK4
SCHEMBL6889570 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AIRAK4JAK2
SCHEMBL81624 0.82 L3MBTL1 (0.39) ALDH1A1HRH3PIM1L3MBTL3L3MBTL1
SCHEMBL17773329 0.81 MEN1 (0.47) ALDH1A1MEN1KMT2AOPRM1OPRK1
SCHEMBL22570289 0.81 MEN1 (0.47) ALDH1A1MEN1KMT2AOPRM1OPRK1
SCHEMBL12509109 0.81 MEN1 (0.47) ALDH1A1MEN1KMT2AOPRM1OPRK1
SCHEMBL18390811 0.78 JAK2 (0.36) HRH3MEN1KMT2AIRAK4JAK2
SCHEMBL26180991 0.78 ALDH1A1 (0.36) ALDH1A1HRH3PIM1L3MBTL3L3MBTL1
SCHEMBL22570041 0.78 MEN1 (0.42) MEN1KMT2AIRAK4OPRM1OPRK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8937060-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) 2015-01-20 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
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

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

For each of this compound's patents that has machine-readable text (3 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-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 1608/4885HRH3 489/4885MEN1 4699/4885
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 1997/4885HRH3 392/4885MEN1 4777/4885
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 1997/4885HRH3 392/4885MEN1 4777/4885

“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.