SCHEMBL7573852

SCHEMBL7573852

N#CC(c1cccc(C(F)(F)F)c1)[S+]([O-])C(C#N)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ACP3 P15309 2/20 0.41
CES2 O00748 2/20 0.41
LRRK2 Q5S007 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CTSS P25774 1/20 0.37
DAO P14920 1/20 0.37
RPS6KB1 P23443 1/20 0.37
GAA P10253 1/20 0.36
MGLL Q99685 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35

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
SCHEMBL5188795 0.76 PNMT (0.49) PNMTIDO1TDO2ACP3CES2
SCHEMBL15391010 0.75 PNMT (0.47) PNMTIDO1TDO2ACP3CES2
SCHEMBL3913019 0.75 PNMT (0.47) PNMTIDO1TDO2ACP3CES2
SCHEMBL7952419 0.75 PNMT (0.47) PNMTIDO1TDO2ACP3CES2
SCHEMBL10959497 0.75 TRPA1 (0.52) PNMTIDO1TDO2ACP3CES2
SCHEMBL11824304 0.72 PNMT (0.45) PNMTIDO1TDO2ACP3CES2
SCHEMBL11156832 0.71 ACP3 (0.44) PNMTIDO1TDO2ACP3CES2
SCHEMBL9586210 0.71 PNMT (0.44) PNMTIDO1TDO2ACP3CES2
SCHEMBL958288 0.71 PNMT (0.47) PNMTIDO1TDO2ACP3CES2
SCHEMBL11075354 0.71 IDO1 (0.45) PNMTIDO1TDO2ACP3CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448265-B1 CORTICOTROPIN RELEASING FACTOR(CRF); ANTIDEPRESSANT; (5-AMINO-1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-3-METHYLSULFANYL-1H -PYRAZOL-4-YL)-(2,5-DIMETHYLPHENYL)METHANONE FOR EXAMPLE PFIZER, INC. 2002-09-10 US disclosed
US-6441018-B2 TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES. PFIZER INC. 2002-08-27 US disclosed
US-20020049227-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY FARACI WILLIAM STEPHAN (US) 2002-04-25 US disclosed
US-20020016333-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY FARACI WILLIAM STEPHEN (US) 2002-02-07 US disclosed
US-6103900-A CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST WHICH TREAT STRESS-INDUCED DISEASES PFIZER INC (US) 2000-08-15 US disclosed
US-6005109-A CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY; EFFECTIVE IN THE TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES PFLIZER INC. (US) 1999-12-21 US disclosed
US-5712303-A ANTIDEPRESSANTS PFIZER INC. (US) 1998-01-27 US disclosed
EP-0674624-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONIST ACTIVITY PFIZER INC. (US) 1995-10-04 EP disclosed
WO-1994013643-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONIST ACTIVITY PFIZER INC. (US) 1994-06-23 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 (2 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-20020016333-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY CRH, CRHR1, CRHR2 PNMT 1842/4885IDO1 2553/4885TDO2 3357/4885
US-20020049227-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY CRH, CRHR1, CRHR2 PNMT 1842/4885IDO1 2553/4885TDO2 3357/4885

“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.