SCHEMBL4715410

SCHEMBL4715410

CC(C)(C)OC(=O)N1CCC(Oc2noc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.49
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PIK3CD O00329 1/20 0.44
KDM1A O60341 1/20 0.44

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
SCHEMBL7278648 0.78 ACHE (0.45)
SCHEMBL29862872 0.78 GPR119 (0.51) GPR119PIK3CD
SCHEMBL2800319 0.78 PIK3CD (0.59) GPR119PIK3CD
SCHEMBL5462197 0.78 GPR119 (0.51) GPR119PIK3CD
SCHEMBL4470775 0.77 GPR119 (0.51) GPR119PIK3CDKDM1A
SCHEMBL2976277 0.77 GBA1 (0.52) GPR119
SCHEMBL5268593 0.76 GPR119 (0.65) GPR119KDM1A
SCHEMBL31288003 0.75 GPR119 (0.42) GPR119PIK3CD
SCHEMBL74564 0.75 KDM1A (0.57) GPR119PDE4APDE4BPDE4CPDE4D
SCHEMBL5454387 0.74 GPR119 (0.57) GPR119PDE4APDE4BPDE4CPDE4D

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 GPR119 2768/4885NPBWR1 4563/4885MCHR1 4837/4885
US-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV GPR119 2768/4885NPBWR1 4563/4885MCHR1 4837/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 GPR119 4438/4885NPBWR1 1002/4885MCHR1 2043/4885
US-20050101587-A9 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 GPR119 4438/4885NPBWR1 1002/4885MCHR1 2043/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 GPR119 4438/4885NPBWR1 1002/4885MCHR1 2043/4885
US-20070117785-A1 Substituted pyrazoles and methods of treatment with substituted pyrazoles CTSS, CMA1, CTSZ GPR119 3287/4885NPBWR1 3451/4885MCHR1 4521/4885

“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.