SCHEMBL7654044

SCHEMBL7654044

CN1CCN(Cc2cccs2)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
DRD4 P21917 10/20 0.65
DRD3 P35462 7/20 0.65
DRD2 P14416 5/20 0.59
DRD5 P21918 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 2/20 0.57
MAPT P10636 1/20 0.57
DRD1 P21728 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
MC4R P32245 1/20 0.53
TSHR P16473 2/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL7050984 0.84 HTT (0.72) HTTDRD4DRD3DRD2DRD5
SCHEMBL9275661 0.83 HRH3 (0.54) HTTDRD4DRD3KDM4EALDH1A1
SCHEMBL11377879 0.83 HTT (0.66) HTTDRD4DRD3DRD2DRD5
SCHEMBL2975841 0.82 HTT (0.70) HTTDRD4DRD3DRD2DRD5
SCHEMBL8168957 0.82 HTT (0.70) HTTDRD4DRD3DRD2DRD5
SCHEMBL28588828 0.81 HTT (0.68) HTTDRD4DRD3DRD2DRD5
SCHEMBL14662685 0.81 HTT (0.68) HTTDRD4DRD3DRD2DRD5
SCHEMBL6555514 0.81 HTT (1.00) HTTDRD4DRD3DRD2DRD5
SCHEMBL9277454 0.80 SIGMAR1 (0.58) DRD3SMN1; SMN2ALDH1A1POLBDRD1
SCHEMBL10257052 0.80 HTT (0.62) HTTDRD4DRD3DRD2DRD5

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 8 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
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP disclosed
US-6462047-B1 CONTAINING 5- OR 6-MEMBERED OXYGEN, NITROGEN AND/OR SULFUR HETEROARYL GROUP; ANGINA, HYPERTENSION, RESPIRATORY DISTRESS, CONGESTIVE HEART FAILURE, RENAL FAILURE, ATHEROSCLEROSIS, INFLAMMATORY DISEASES, STROKES, BRONCHITIS, ASTHMA ICOS CORPORATION 2002-10-08 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 (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 HTT 2507/4885DRD4 1042/4885DRD3 679/4885

“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.