SCHEMBL2902536

SCHEMBL2902536

OC1CCN(C(c2ccccc2)c2c[nH]nc2-c2ccccc2F)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.36
OPRD1 P41143 4/20 0.36
OPRM1 P35372 3/20 0.36
OPRL1 P41146 3/20 0.36
KCNA3 P22001 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ATM Q13315 1/20 0.31
DPP4 P27487 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31

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
SCHEMBL2908475 0.85 KCNA3 (0.36) OPRK1OPRD1OPRM1OPRL1KCNA3
SCHEMBL2906133 0.80 HSP90AA1 (0.43) OPRK1OPRD1OPRM1OPRL1KDM4E
SCHEMBL2907391 0.80 OPRM1 (0.50) OPRK1OPRD1OPRM1OPRL1KDM4E
SCHEMBL2907788 0.80 LMNA (0.37) OPRK1OPRD1OPRM1OPRL1KCNA3
SCHEMBL2908468 0.77 ALDH1A1 (0.41) OPRK1OPRD1OPRM1OPRL1MEN1
SCHEMBL2905341 0.74 CHRM2 (0.43) OPRK1OPRD1OPRM1KDM4EMEN1
SCHEMBL2908936 0.74 HRH3 (0.39) OPRK1OPRD1OPRM1OPRL1MEN1
SCHEMBL5907357 0.73 HTR1A (0.39) OPRK1OPRD1OPRM1OPRL1KMT2A
SCHEMBL15992273 0.73 KCNH2 (0.35) OPRK1OPRD1OPRM1OPRL1KDM4E
SCHEMBL2267354 0.73 L3MBTL3 (0.53) OPRK1OPRD1OPRM1OPRL1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US claimed
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP disclosed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 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-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A OPRK1 118/4885OPRD1 104/4885OPRM1 151/4885

“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.