SCHEMBL4773949

SCHEMBL4773949

CC(C)(C)OC(=O)N1CCC(c2cn(CCN3CCOCC3)c3cc(Cl)ccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.49
CNR1 P21554 2/20 0.46
UTS2R Q9UKP6 3/20 0.45
MAPT P10636 1/20 0.43
THRB P10828 2/20 0.43
LMNA P02545 1/20 0.43
MAPK8 P45983 2/20 0.43
CNR2 P34972 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL30568016 0.81 CNR1 (0.55) SCN9ACNR1UTS2RMAPTTHRB
SCHEMBL23211915 0.81 CNR1 (0.55) SCN9ACNR1UTS2RMAPTTHRB
SCHEMBL22773374 0.79 SCN9A (0.51) SCN9ACNR1MAPTTHRBLMNA
SCHEMBL4767295 0.78 HTR1A (0.47) SCN9ACNR1MAPTCNR2
SCHEMBL30568014 0.78 CNR1 (0.46) SCN9ACNR1UTS2RMAPTTHRB
SCHEMBL23211983 0.78 CNR1 (0.46) SCN9ACNR1UTS2RMAPTTHRB
SCHEMBL30568012 0.77 SCN9A (0.57) SCN9ACNR1MAPTTHRBSMN1; SMN2
SCHEMBL23212070 0.77 SCN9A (0.57) SCN9ACNR1MAPTTHRBSMN1; SMN2
SCHEMBL24895421 0.77 CYP3A4 (0.48) CNR1UTS2RMAPTTHRBLMNA
SCHEMBL23212041 0.77 CNR1 (0.47) SCN9ACNR1UTS2RMAPTTHRB

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 22 patents — showing the first 20. 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-6703344-B2 ENCAPSULATED DYE; COLORFASTNESS FUJI PHOTO FILM CO., LTD. (JP) 2004-03-09 US disclosed
US-20040044027-A1 Substituted pyrazoles CAI HUI (US) 2004-03-04 US disclosed
US-20030225063-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-20030013608-A1 Thermal recording material FUJI PHOTO FILM CO., LTD. 2003-01-16 US 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 (5 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-20020040019-A1 Substituted pyrazoles CTSS, CTSZ, CTSV SCN9A 3961/4885CNR1 2781/4885UTS2R 658/4885
US-20040044027-A1 Substituted pyrazoles CTSS, CTSZ, CTSV SCN9A 3961/4885CNR1 2781/4885UTS2R 658/4885
US-20030225063-A1 Substituted pyrazoles CTSS, CTSZ, CTSV SCN9A 3961/4885CNR1 2781/4885UTS2R 658/4885
US-20020147189-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 SCN9A 3426/4885CNR1 1796/4885UTS2R 755/4885
US-20050234102-A1 Substituted pyrazoles CTSS, CTSZ, CTSV SCN9A 3961/4885CNR1 2781/4885UTS2R 658/4885

“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.