SCHEMBL2975645

SCHEMBL2975645

CC(=O)N1CCc2c(c(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2CC2CO2)C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 8/20 0.51
CREBBP Q92793 1/20 0.51
CTSS P25774 11/20 0.46

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
SCHEMBL4712483 0.88 KCNK3 (0.57) KCNK3CREBBPCTSS
SCHEMBL4714701 0.88 KCNK3 (0.57) KCNK3CREBBPCTSS
SCHEMBL2980670 0.84 CREBBP (0.62) KCNK3CREBBPCTSS
SCHEMBL2985059 0.80 CREBBP (0.62) KCNK3CREBBPCTSS
SCHEMBL2972705 0.80 CREBBP (0.62) KCNK3CREBBPCTSS
SCHEMBL4712709 0.80 CREBBP (0.62) KCNK3CREBBPCTSS
SCHEMBL2980722 0.78 CTSS (0.47) KCNK3CREBBPCTSS
SCHEMBL2973788 0.78 KCNK3 (0.68) KCNK3CREBBPCTSS
SCHEMBL2972642 0.77 CTSS (0.69) CTSS
SCHEMBL5123995 0.77 CTSS (0.44) KCNK3CREBBPCTSS

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772236-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2010-08-10 US disclosed
US-7589202-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2009-09-15 US disclosed
US-20080300255-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-12-04 US disclosed
US-20080293732-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-11-27 US disclosed
US-7452890-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-11-18 US disclosed
US-7429591-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-30 US disclosed
US-7417046-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 US disclosed
US-7393850-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-01 US disclosed
US-7388011-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-06-17 US disclosed
US-7332494-B2 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-19 US disclosed
US-20070004738-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US disclosed
US-20070004754-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US disclosed
EP-1315491-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2006-08-09 EP disclosed
EP-1315491-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309591-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20030073672-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-17 US disclosed
US-20030069240-A1 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-10 US disclosed
US-20020040020-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US disclosed
WO-2002020012-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014314-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-20080293732-A1 Substituted pyrazoles CTSS, CTSZ, CTSB KCNK3 2071/4885CREBBP 2922/4885CTSS 1/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB KCNK3 2071/4885CREBBP 2922/4885CTSS 1/4885
US-20070004738-A1 Substituted pyrazoles CTSS, CTSZ, CTSB KCNK3 2071/4885CREBBP 2922/4885CTSS 1/4885
US-20030069240-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 KCNK3 346/4885CREBBP 1005/4885CTSS 294/4885
US-20030073672-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 KCNK3 346/4885CREBBP 1005/4885CTSS 294/4885
US-20070004754-A1 Substituted pyrazoles CTSS, CTSZ, CTSB KCNK3 2071/4885CREBBP 2922/4885CTSS 1/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV KCNK3 2182/4885CREBBP 3211/4885CTSS 1/4885

“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.