SCHEMBL2969652

SCHEMBL2969652

COc1ccccc1N1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(C)=O)C3)CC1

nearest known ligand 0.97

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 9/20 0.97
▸ CD74 P04233 1/20 0.51
▸ CACNA1G O43497 1/20 0.50
▸ KCNK3 O14649 2/20 0.49
▸ DRD2 P14416 2/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ HTR7 P34969 1/20 0.48
▸ 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
SCHEMBL2972653 0.98 CTSS (1.00) CTSSCD74CACNA1GKCNK3DRD2
SCHEMBL2981128 0.98 CTSS (0.98) CTSSCD74CACNA1GKCNK3DRD2
SCHEMBL2985196 0.98 CTSS (0.98) CTSSCD74CACNA1GKCNK3DRD2
SCHEMBL2971542 0.91 CTSS (0.83) CTSSKCNK3CREBBP
SCHEMBL5138724 0.89 CTSS (0.81) CTSSKCNK3CREBBP
SCHEMBL2981144 0.89 CTSS (0.80) CTSSKCNK3CREBBP
SCHEMBL2981146 0.89 CTSS (0.80) CTSSKCNK3CREBBP
SCHEMBL2982564 0.89 CTSS (0.80) CTSSKCNK3HTR7CREBBP
SCHEMBL2981065 0.89 CTSS (0.77) CTSSCD74CACNA1GKCNK3CREBBP
SCHEMBL2972732 0.88 CTSS (1.00) 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 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-7429591-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2008-09-30 — — US disclosed
EP-1309591-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2007-01-24 — — EP 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-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 disclosed
US-20070004755-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 — — US disclosed
US-20020040020-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 — — US 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 1/4885CD74 80/4885CACNA1G 3152/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885CD74 80/4885CACNA1G 3152/4885
US-20070004738-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885CD74 80/4885CACNA1G 3152/4885
US-20070010530-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885CD74 80/4885CACNA1G 3152/4885
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 825/4885CACNA1G 1665/4885
US-20070004754-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885CD74 80/4885CACNA1G 3152/4885
US-20070004755-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885CD74 80/4885CACNA1G 3152/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885CD74 125/4885CACNA1G 3036/4885

“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.

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