SCHEMBL6166576

SCHEMBL6166576

c1ccc(-c2ccc(-c3c[nH]c(C4CCCCN4)n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.41
CYP2D6 P10635 4/20 0.39
MEN1 O00255 3/20 0.39
CYP2C19 P33261 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 3/20 0.39
POLB P06746 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
LTA4H P09960 2/20 0.39
PARP1 P09874 3/20 0.38
AURKA O14965 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL12961554 0.97 CYP2D6 (0.41) NR1H4CYP2D6MEN1CYP2C19KMT2A
SCHEMBL1056603 0.97 CYP2D6 (0.41) NR1H4CYP2D6MEN1CYP2C19KMT2A
SCHEMBL17396135 0.93 TAAR1 (0.40) NR1H4CYP2D6MEN1CYP2C19KMT2A
SCHEMBL17396137 0.93 TAAR1 (0.40) NR1H4CYP2D6MEN1CYP2C19KMT2A
SCHEMBL15105935 0.90 CHRNB2 (0.38) NR1H4CYP2D6MEN1CYP2C19KMT2A
SCHEMBL882749 0.90 CHRNB2 (0.38) NR1H4CYP2D6MEN1CYP2C19KMT2A
SCHEMBL883089 0.90 CHRNB2 (0.38) NR1H4CYP2D6MEN1CYP2C19KMT2A
SCHEMBL10177443 0.88 CHRNB2 (0.39) NR1H4CYP2D6MEN1CYP2C19KMT2A
SCHEMBL6166898 0.86 PARP1 (0.36) NR1H4CYP2D6MEN1CYP2C19KMT2A
SCHEMBL30859364 0.84 ADORA1 (0.36) NR1H4CYP2D6MEN1CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349850-B1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOD CONSEILS RECH APPLIC (FR) 2005-09-07 EP claimed
EP-1349850-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-10-08 EP claimed
WO-2002053559-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-11 WO claimed
US-20040077640-A1 Sodium channel modulators derived from 2-piperidylimidazoles SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-22 US disclosed
EP-1349850-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-10-08 EP disclosed
WO-2002053559-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-11 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 (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-20040077640-A1 Sodium channel modulators derived from 2-piperidylimidazoles KCNH1, HCN4, KCNH2 NR1H4 303/4885CYP2D6 743/4885MEN1 4835/4885

“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.