SCHEMBL4712709

SCHEMBL4712709

CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2CC2CO2)C1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 6/20 0.62
▸ BRD4 O60885 2/20 0.55
▸ KCNK3 O14649 7/20 0.54
▸ CTSS P25774 7/20 0.51

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
SCHEMBL2985059 1.00 CREBBP (0.62) CREBBPBRD4KCNK3CTSS
SCHEMBL2980670 0.90 CREBBP (0.62) CREBBPBRD4KCNK3CTSS
SCHEMBL2972705 0.90 CREBBP (0.62) CREBBPBRD4KCNK3CTSS
SCHEMBL2973788 0.87 KCNK3 (0.68) CREBBPBRD4KCNK3CTSS
SCHEMBL4712483 0.84 KCNK3 (0.57) CREBBPKCNK3CTSS
SCHEMBL4714701 0.84 KCNK3 (0.57) CREBBPKCNK3CTSS
SCHEMBL4715724 0.82 CTSS (0.55) KCNK3CTSS
SCHEMBL2975645 0.80 KCNK3 (0.51) CREBBPKCNK3CTSS
SCHEMBL2975992 0.77 CTSS (0.47) CREBBPKCNK3CTSS
SCHEMBL2980722 0.72 CTSS (0.47) CREBBPKCNK3CTSS

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 CREBBP 3211/4885BRD4 866/4885KCNK3 2182/4885
US-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CREBBP 3211/4885BRD4 866/4885KCNK3 2182/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CREBBP 1005/4885BRD4 140/4885KCNK3 346/4885
US-20050101587-A9 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CREBBP 1005/4885BRD4 140/4885KCNK3 346/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CREBBP 1005/4885BRD4 140/4885KCNK3 346/4885
US-20070117785-A1 Substituted pyrazoles and methods of treatment with substituted pyrazoles CTSS, CMA1, CTSZ CREBBP 3058/4885BRD4 463/4885KCNK3 1188/4885

“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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