SCHEMBL2854432

SCHEMBL2854432

O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.68
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
MEN1 O00255 1/20 0.55
PLA2G1B P04054 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55

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
SCHEMBL2859933 0.92 CCR1 (0.80) CCR1LMNAHPGDMEN1PLA2G1B
SCHEMBL2859642 0.91 CCR1 (0.73) CCR1HPGD
SCHEMBL2854461 0.90 CCR1 (0.75) CCR1LMNAHPGD
SCHEMBL2854264 0.89 CCR1 (0.66) CCR1LMNAHPGD
SCHEMBL2860195 0.89 CCR1 (0.70) CCR1LMNAHPGD
SCHEMBL2859008 0.87 LMNA (0.66) CCR1LMNAHPGDMEN1PLA2G1B
SCHEMBL2856191 0.87 CCR1 (0.80) CCR1
SCHEMBL2850732 0.83 CCR1 (0.53) CCR1LMNAHPGDMEN1PLA2G1B
SCHEMBL2854971 0.83 CCR1 (0.66) CCR1
SCHEMBL2855376 0.83 CCR1 (0.60) CCR1LMNAHPGDMEN1PLA2G1B

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 13 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
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 3059/4885LMNA 3896/4885HPGD 1358/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 CCR1 3059/4885LMNA 3896/4885HPGD 1358/4885

“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.