SCHEMBL2977352

SCHEMBL2977352

CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 1.00
KCNK3 O14649 7/20 0.62

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
SCHEMBL2976447 0.93 CTSS (0.86) CTSSKCNK3
SCHEMBL2978618 0.92 CTSS (0.85) CTSS
SCHEMBL2983711 0.89 CTSS (0.81) CTSSKCNK3
SCHEMBL4712477 0.86 CTSS (0.75) CTSSKCNK3
SCHEMBL2985124 0.85 CTSS (0.76) CTSSKCNK3
SCHEMBL2972650 0.85 CTSS (0.81) CTSS
SCHEMBL2977641 0.83 CTSS (0.79) CTSS
SCHEMBL2986742 0.83 CTSS (0.86) CTSSKCNK3
SCHEMBL2983694 0.82 CTSS (0.83) CTSS
SCHEMBL2981279 0.82 CTSS (1.00) CTSS

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 25 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
US-20020040020-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US claimed
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-7417046-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 US disclosed
US-20070010530-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-11 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
US-20070004755-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 US disclosed
EP-1309591-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20020040020-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US 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 (8 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 1/4885KCNK3 2071/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885KCNK3 2071/4885
US-20070004738-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885KCNK3 2071/4885
US-20070010530-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885KCNK3 2071/4885
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 1/4885KCNK3 1584/4885
US-20070004754-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885KCNK3 2071/4885
US-20070004755-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885KCNK3 2071/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885KCNK3 2182/4885

“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.