SCHEMBL2852240

SCHEMBL2852240

Clc1cccc(Cl)c1CCNCc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 5/20 0.58
MC4R P32245 3/20 0.58
MC3R P41968 3/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
MC1R Q01726 2/20 0.51
MAPK1 P28482 1/20 0.50
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NPY1R P25929 1/20 0.45
NPY5R Q15761 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL2854483 0.79 CHRM2 (0.55) CA12CA1CA2CA4BCHE
SCHEMBL5947943 0.78 BCHE (0.55) BCHEROCK1
SCHEMBL1799518 0.77 CHRM2 (0.45) BCHEHDAC1CYP1A2CYP2D6CYP2C19
SCHEMBL6008141 0.76 MC5R (0.71) MC5RMC4RMC3RCA12CA1
SCHEMBL22495340 0.76 GAA (0.63) MC5RMC4RMC3RCA12CA1
SCHEMBL613300 0.75 ALDH1A1 (0.53) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL4153367 0.75 CA12 (0.63) MC5RMC4RMC3RCA12CA1
SCHEMBL12298696 0.74 MC5R (0.69) MC5RMC4RMC3RCA12CA1
SCHEMBL8851355 0.74 MC5R (0.69) MC5RMC4RMC3RCA12CA1
SCHEMBL8334845 0.74 MC5R (0.69) MC5RMC4RMC3RCA12CA1

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 4 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 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-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US 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 MC5R 2154/4885MC4R 2822/4885MC3R 824/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 MC5R 2154/4885MC4R 2822/4885MC3R 824/4885

“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.