SCHEMBL4717237

SCHEMBL4717237

O=S1(=O)NCc2cc(Cl)ccc2N1C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.47
HTR2B P41595 3/20 0.47
OPRL1 P41146 11/20 0.46
OPRM1 P35372 8/20 0.46
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
CD74 P04233 2/20 0.40
CTSS P25774 2/20 0.40
HTR2A P28223 4/20 0.39
NOTUM Q6P988 1/20 0.37

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
SCHEMBL6866920 0.81 OPRL1 (0.67) HTR2CHTR2BOPRL1OPRM1GRIA2
Hydrochloric Acid SCHEMBL11099579 0.80 OPRL1 (0.66) HTR2CHTR2BOPRL1OPRM1GRIA2
SCHEMBL4714893 0.73 HTR2C (0.49) HTR2CHTR2BCD74CTSSHTR2A
SCHEMBL4716706 0.69 NOTUM (0.56) HTR2CHTR2BOPRL1OPRM1CTSS
SCHEMBL23212021 0.68 HTR2C (0.80) HTR2CHTR2BHTR2ANOTUM
SCHEMBL4713862 0.68 NOTUM (0.62) HTR2CHTR2BOPRL1OPRM1HTR2A
SCHEMBL3379474 0.66 HTR2C (0.47) HTR2CHTR2BNOTUM
SCHEMBL20842817 0.66 HTR2C (0.50) HTR2CHTR2BGRIA1GRIA2GRIA3
Hydrochloric Acid SCHEMBL3380183 0.65 HTR2C (0.46) HTR2CHTR2BNOTUM
Hydrochloric Acid SCHEMBL21382303 0.64 HTR2C (0.48) HTR2CHTR2BHTR2A

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 HTR2C 3881/4885HTR2B 3568/4885OPRL1 4813/4885
US-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV HTR2C 3881/4885HTR2B 3568/4885OPRL1 4813/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 HTR2C 970/4885HTR2B 904/4885OPRL1 3676/4885
US-20050101587-A9 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 HTR2C 970/4885HTR2B 904/4885OPRL1 3676/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 HTR2C 970/4885HTR2B 904/4885OPRL1 3676/4885
US-20070117785-A1 Substituted pyrazoles and methods of treatment with substituted pyrazoles CTSS, CMA1, CTSZ HTR2C 2413/4885HTR2B 2134/4885OPRL1 4814/4885

“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.