SCHEMBL4774609

SCHEMBL4774609

Cc1[nH]c2ccc(Cl)cc2c1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.54
OPRK1 P41145 3/20 0.54
OPRD1 P41143 2/20 0.54
OPRL1 P41146 2/20 0.54
CNR1 P21554 3/20 0.51
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
STS P08842 2/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44

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
SCHEMBL24461562 0.80 MAPT (0.47) CNR1MAPTKDM4ETHRBMEN1
SCHEMBL892836 0.80 OPRM1 (0.53) OPRM1OPRK1OPRL1CNR1MAPT
SCHEMBL30567991 0.80 OPRM1 (0.53) OPRM1OPRK1OPRL1CNR1MAPT
Hydrochloric Acid SCHEMBL1703941 0.79 OPRM1 (0.52) OPRM1OPRK1OPRL1CNR1MAPT
SCHEMBL4334254 0.77 MAPT (0.56) CNR1MAPTKDM4ETHRBMEN1
SCHEMBL14401199 0.76 STS (0.53) CNR1MAPTKDM4ETHRBMEN1
SCHEMBL19761001 0.76 TLR7 (0.49) CNR1MAPTKDM4ETHRBSTS
SCHEMBL29555369 0.76 TLR7 (0.49) CNR1MAPTKDM4ETHRBSTS
SCHEMBL16794930 0.75 CNR1 (0.45) CNR1MAPTKDM4ETHRBALOX15
SCHEMBL4771971 0.75 AVPR1A (0.50) CNR1MAPTKDM4ETHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315492-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2008-07-30 EP disclosed
US-7265102-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-04 US disclosed
EP-1309592-B9 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2007-02-28 EP disclosed
EP-1309592-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-04-26 EP disclosed
US-20050234102-A1 Substituted pyrazoles CAI HUI 2005-10-20 US disclosed
US-6951851-B2 Substituted pyrazoles CAI HUI 2005-10-04 US disclosed
US-6949540-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-09-27 US disclosed
US-6936603-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-08-30 US disclosed
US-20040044027-A1 Substituted pyrazoles CAI HUI (US) 2004-03-04 US disclosed
US-20030229075-A1 Substituted pyrazoles CAI HUI (US) 2003-12-11 US disclosed
US-20030225063-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-12-04 US disclosed
US-20030225062-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-12-04 US disclosed
US-6635633-B2 Substituted pyrazoles ORTHO-PHARMACEUTICAL, INC. 2003-10-21 US disclosed
US-6579896-B2 Immunology response; autoimmune disease ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-17 US disclosed
EP-1315492-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309592-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20020147189-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-10-10 US disclosed
US-20020040019-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US disclosed
WO-2002020013-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014317-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 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 (7 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-20030225062-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRD1 4703/4885
US-20030229075-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRD1 4703/4885
US-20020040019-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRD1 4703/4885
US-20040044027-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRD1 4703/4885
US-20030225063-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRD1 4703/4885
US-20020147189-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 OPRM1 4605/4885OPRK1 3202/4885OPRD1 3920/4885
US-20050234102-A1 Substituted pyrazoles CTSS, CTSZ, CTSV OPRM1 4858/4885OPRK1 4693/4885OPRD1 4703/4885

“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.