SCHEMBL2979083

SCHEMBL2979083

CC(=O)N1CCc2c(c(-c3ccc(I)cc3)nn2CC(O)CN2CCN(c3ccccc3C#N)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 1.00
CD74 P04233 1/20 0.54
CREBBP Q92793 1/20 0.48

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
SCHEMBL2983689 0.93 CTSS (0.87) CTSSCD74
SCHEMBL2980703 0.92 CTSS (0.85) CTSSCD74
SCHEMBL2982221 0.92 CTSS (1.00) CTSSCD74
SCHEMBL2979059 0.92 CTSS (0.84) CTSSCD74
SCHEMBL14015780 0.91 CTSS (0.83) CTSSCD74
SCHEMBL2978580 0.90 CTSS (0.82) CTSSCD74CREBBP
SCHEMBL2980572 0.90 CTSS (0.82) CTSSCD74
SCHEMBL2979054 0.90 CTSS (0.82) CTSSCD74
SCHEMBL2974894 0.90 CTSS (0.82) CTSSCD74
SCHEMBL2974992 0.90 CTSS (0.82) CTSSCD74

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 76 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 claimed
US-20080293732-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-11-27 US claimed
US-7429591-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-30 US claimed
US-7309703-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2007-12-18 US claimed
EP-1309591-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2007-01-24 EP claimed
US-20070004747-A1 Inhibiting the proteolytic activity of cathepsin S; 1-[4-(2-Amino-6-chloro-phenyl)-piperazin-1-yl]-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propan-2-ol; antiarthritic agent; autoimmune disease: lupus, rheumatoid arthritis, and asthma ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US claimed
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 claimed
EP-1315491-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP claimed
EP-1309591-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP claimed
US-20030073672-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-17 US claimed
US-20030069240-A1 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-10 US claimed
US-20020040020-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US claimed
WO-2002020012-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO claimed
WO-2002014314-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 WO claimed
US-7772236-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2010-08-10 US disclosed
US-7772236-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2010-08-10 US disclosed
US-7772236-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2010-08-10 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 (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-20080293732-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885CD74 80/4885CREBBP 2922/4885
US-20030069240-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885CD74 519/4885CREBBP 1005/4885
US-20030073672-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885CD74 519/4885CREBBP 1005/4885
US-20070004747-A1 Inhibiting the proteolytic activity of cathepsin S; 1-[4-(2-Amino-6-chloro-phenyl)-piperazin-1-yl]-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propan-2-ol; antiarthritic agent; autoimmune disease: lupus, rheumatoid arthritis, and asthma CTSS, CTSV, CTSZ CTSS 1/4885CD74 825/4885CREBBP 2715/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885CD74 125/4885CREBBP 3211/4885

“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.