SCHEMBL4716901

SCHEMBL4716901

CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2CC(O)CO)C1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.64
KCNK3 O14649 4/20 0.57
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
SCHEMBL4716899 1.00 CTSS (0.64) CTSSKCNK3CREBBP
SCHEMBL2971922 0.88 CTSS (0.67) CTSSKCNK3
SCHEMBL2973987 0.83 CTSS (0.68) CTSSKCNK3
SCHEMBL4714701 0.83 KCNK3 (0.57) CTSSKCNK3CREBBP
SCHEMBL4712483 0.83 KCNK3 (0.57) CTSSKCNK3CREBBP
SCHEMBL5531689 0.82 CTSS (0.66) CTSS
SCHEMBL5539644 0.82 CTSS (0.69) CTSS
SCHEMBL5541106 0.82 CTSS (0.69) CTSS
SCHEMBL2978464 0.82 CTSS (0.64) CTSS
SCHEMBL5533034 0.82 CTSS (0.70) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315490-B1 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2008-11-12 EP disclosed
US-20070117785-A1 Substituted pyrazoles and methods of treatment with substituted pyrazoles JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
EP-1309593-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-03-15 EP disclosed
US-20050245576-A1 Substituted pyrazoles BUTLER CHRISTOPHER R 2005-11-03 US disclosed
US-6953793-B2 Substituted pyrazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-10-11 US disclosed
US-20050101587-A9 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICALS, INC. 2005-05-12 US disclosed
US-6583155-B2 Administering 2-(1-(3-(5-Acetyl-3-(4-chloro-phenyl)-4,5,6,7-tetrahydro-pyrazolo-(4,3 -c)pyridin-1-yl)-2-hydroxy-propyl)-piperidin-4-ylamino)-benzonitrile for inhibiting cathepsins; for treating atopic diseases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 US disclosed
EP-1315490-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309593-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20030078419-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-24 US disclosed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 US disclosed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014315-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-20050245576-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885KCNK3 2182/4885CREBBP 3211/4885
US-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CTSS 1/4885KCNK3 2182/4885CREBBP 3211/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885KCNK3 346/4885CREBBP 1005/4885
US-20050101587-A9 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885KCNK3 346/4885CREBBP 1005/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CTSS 294/4885KCNK3 346/4885CREBBP 1005/4885
US-20070117785-A1 Substituted pyrazoles and methods of treatment with substituted pyrazoles CTSS, CMA1, CTSZ CTSS 1/4885KCNK3 1188/4885CREBBP 3058/4885

“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.