SCHEMBL2974998

SCHEMBL2974998

COc1ccccc1N1CCN(CC(O)Cn2nc(-c3ccc(Cl)cc3)c3c2CCNC3)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.71
HTR7 P34969 3/20 0.52
HTR1A P08908 2/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.46
RECQL P46063 1/20 0.46
ADRA1B P35368 1/20 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
SCHEMBL2972618 0.89 CTSS (0.67) CTSSHTR7HTR1AHTR2A
Ethylene SCHEMBL2976648 0.84 CTSS (0.72) CTSSHTR7HTR1ADRD2RECQL
SCHEMBL2972732 0.83 CTSS (1.00) CTSS
SCHEMBL2985066 0.83 CTSS (0.87) CTSSHTR7HTR1ADRD2
SCHEMBL4918871 0.82 CTSS (0.72) CTSSHTR7HTR1AHTR2A
SCHEMBL2984977 0.81 CTSS (0.84) CTSSHTR7HTR1ADRD2
SCHEMBL5255953 0.81 CTSS (0.77) CTSSHTR7HTR1ADRD2RECQL
SCHEMBL2978751 0.81 CTSS (0.83) CTSSHTR7HTR1ADRD2
SCHEMBL2982177 0.81 CTSS (0.83) CTSSHTR7HTR1ADRD2
SCHEMBL2981470 0.81 CTSS (0.69) CTSSHTR7

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 29 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-1309591-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP claimed
US-20020040020-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US 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-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-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
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 (6 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 1/4885HTR7 3675/4885HTR1A 4383/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885HTR7 3675/4885HTR1A 4383/4885
US-20070004738-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885HTR7 3675/4885HTR1A 4383/4885
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 1/4885HTR7 1551/4885HTR1A 1721/4885
US-20070004754-A1 Substituted pyrazoles CTSS, CTSZ, CTSB CTSS 1/4885HTR7 3675/4885HTR1A 4383/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885HTR7 3581/4885HTR1A 4279/4885

“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.