SCHEMBL13559777

SCHEMBL13559777

COc1ccc(CN2CCN(C)CC2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.56
ALDH1A1 P00352 1/20 0.53
DRD4 P21917 5/20 0.52
KMT2A Q03164 1/20 0.51
SIGMAR1 Q99720 4/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
TMEM97 Q5BJF2 2/20 0.49
DBH P09172 1/20 0.49

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
SCHEMBL8325210 0.88 ALDH1A1 (0.63) ALDH1A1DRD4SIGMAR1TMEM97
SCHEMBL8327595 0.86 ALDH1A1 (0.66) ALDH1A1DRD4SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL16825126 0.85 ALDH1A1 (0.64) ALDH1A1DRD4SIGMAR1TMEM97
SCHEMBL2733863 0.84 CYP1A2 (0.54) ALDH1A1DRD4SIGMAR1CRHBPCRHR2
SCHEMBL23179563 0.82 HTR7 (0.66) DRD4SIGMAR1TMEM97
SCHEMBL12891510 0.82 ALDH1A1 (0.69) CHKAALDH1A1KDM4EMAPT
SCHEMBL2933199 0.82 CRHBP (0.50) CHKAALDH1A1KMT2ACRHBPCRHR2
SCHEMBL520005 0.82 LMNA (0.57) CHKAKMT2ACRHBPCRHR2SMN1; SMN2
SCHEMBL17946120 0.81 DRD4 (0.55) ALDH1A1DRD4SIGMAR1CRHBPCRHR2
SCHEMBL30815930 0.81 DRD4 (0.55) ALDH1A1DRD4SIGMAR1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518067-B1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H- INDAZOLE-3-CARBOXAMIDE AND THEIR THERAPEUTIC USES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2014-03-05 EP disclosed
US-8623862-B2 Derivatives of N-[(1H-pyrazol-1-yl)aryl]-1H-indole or 1H-indazole-3-carboxamide, preparation thereof and applications thereof in therapeutics SANOFI (FR) 2014-01-07 US disclosed
US-8623862-B2 Derivatives of N-[(1H-pyrazol-1-yl)aryl]-1H-indole or 1H-indazole-3-carboxamide, preparation thereof and applications thereof in therapeutics SANOFI (FR) 2014-01-07 US disclosed
US-20120277205-A1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS SANOFI (FR) 2012-11-01 US disclosed
US-20120277205-A1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS SANOFI (FR) 2012-11-01 US disclosed
EP-2518067-A1 Derivatives of N-[(1H-pyrazol-1-YL)aryl]-1H-indole or 1H- indazole-3-carboxamide and their therapeutic uses as P2Y12 antagonists SANOFI (FR) 2012-10-31 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 (1 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-20120277205-A1 DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS NTRK3, NTRK1, NTRK2 CHKA 396/4885ALDH1A1 973/4885DRD4 1042/4885

“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.