SCHEMBL2854483

SCHEMBL2854483

Clc1ccc(CNCCc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.55
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
BCHE P06276 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ADRB2 P07550 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HDAC1 Q13547 1/20 0.43
CNR1 P21554 1/20 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
SCHEMBL2854473 0.83 TAAR1 (0.50) SMN1; SMN2ADRB2CYP3A4CYP2D6CYP2C19
SCHEMBL17110149 0.82 SCN8A (0.49) ADRB2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4037480 0.82 CA1 (0.51) CHRM2CA1CA2ADRB2CYP1A2
SCHEMBL17110151 0.81 CNR1 (0.54) CHRM2CA12CA1CA2CA4
SCHEMBL2852240 0.79 MC5R (0.58) CA12CA1CA2CA4BCHE
SCHEMBL11094422 0.78 CHRM2 (0.75) CHRM2CA12CA1CA2CA4
SCHEMBL8127992 0.78 BCHE (0.74) CHRM2CA12CA1CA2CA4
SCHEMBL22495461 0.78 BCHE (0.74) CHRM2CA12CA1CA2CA4
SCHEMBL1799518 0.77 CHRM2 (0.45) CHRM2BCHEADRB2CYP1A2CYP3A4
SCHEMBL2854409 0.76 CYP1A2 (0.59) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 US 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-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 (3 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 CHRM2 2630/4885CA12 3043/4885CA1 1399/4885
US-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA CHRM2 4398/4885CA12 3754/4885CA1 3025/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 CHRM2 2630/4885CA12 3043/4885CA1 1399/4885

“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.