SCHEMBL2854495

SCHEMBL2854495

Fc1ccc(CNCCc2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MPO P05164 1/20 0.54
HTT P42858 1/20 0.53
CYP2C19 P33261 1/20 0.53
LTA4H P09960 1/20 0.52
EPHX2 P34913 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 1/20 0.51
ALOX15 P16050 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CHRM2 P08172 2/20 0.49

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
SCHEMBL5573633 0.87 CHRM2 (0.60) KDM4ECYP1A2CYP2D6ALDH1A1CYP2C19
SCHEMBL6742452 0.87 CYP1A2 (0.60) KDM4ECYP1A2CYP2D6ALDH1A1CYP2C19
SCHEMBL6832167 0.84 CYP1A2 (0.55) KDM4ECYP1A2CYP2D6ALDH1A1CYP2C19
SCHEMBL2854302 0.84 CYP1A2 (0.56) KDM4ECYP1A2CYP2D6ALDH1A1CYP2C19
SCHEMBL1392847 0.81 CHRM2 (0.70) KDM4ECYP1A2CYP2D6ALDH1A1CYP2C19
SCHEMBL4413889 0.81 KDM4E (0.56) KDM4ECYP1A2CYP2D6ALDH1A1MPO
SCHEMBL19909336 0.81 MAOA (0.57) KDM4ECYP1A2CYP2D6ALDH1A1CYP2C19
SCHEMBL13778175 0.81 ALDH1A1 (0.56) KDM4ECYP1A2CYP2D6ALDH1A1HTT
SCHEMBL8867729 0.80 CYP1A2 (0.56) KDM4ECYP1A2CYP2D6ALDH1A1HTT
SCHEMBL1921574 0.79 HRH3 (0.70) KDM4ECYP1A2CYP2D6ALDH1A1CYP2C19

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KDM4E 2869/4885CYP1A2 1874/4885CYP2D6 2653/4885

“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.