SCHEMBL2856191

SCHEMBL2856191

O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 17/20 0.80
KDM4E B2RXH2 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL2860195 0.94 CCR1 (0.70) CCR1KDM4ENPSR1ALDH1A1
SCHEMBL2859642 0.92 CCR1 (0.73) CCR1KDM4EALDH1A1
SCHEMBL2859933 0.91 CCR1 (0.80) CCR1NPSR1
SCHEMBL2854461 0.91 CCR1 (0.75) CCR1KDM4ENPSR1ALDH1A1
SCHEMBL2857923 0.91 CCR1 (0.66) CCR1KDM4ENPSR1ALDH1A1
SCHEMBL2854264 0.90 CCR1 (0.66) CCR1KDM4ENPSR1
SCHEMBL2855115 0.89 CCR1 (0.64) CCR1KDM4ENPSR1ALDH1A1
SCHEMBL2861171 0.89 CCR1 (0.69) CCR1KDM4ENPSR1ALDH1A1
SCHEMBL2857267 0.89 CCR1 (0.63) CCR1KDM4ENPSR1ALDH1A1
SCHEMBL2854971 0.88 CCR1 (0.66) CCR1KDM4ENPSR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
EP-1451160-A4 PYRAZOLE-AMIDES AND-SULFONAMIDES ICAGEN INC (US) 2005-04-20 EP disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
EP-1451160-A2 PYRAZOLE-AMIDES AND-SULFONAMIDES Icagen, Inc. (US) 2004-09-01 EP disclosed
WO-2003037274-A2 PYRAZOLE-AMIDES AND-SULFONAMIDES ICAGEN, INC. (US) 2003-05-08 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 CCR1 3059/4885KDM4E 2869/4885NPSR1 420/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 CCR1 3059/4885KDM4E 2869/4885NPSR1 420/4885

“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.