SCHEMBL6166041

SCHEMBL6166041

c1ccc(-c2ccc(-c3c[nH]c(C4CCNCC4)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HPGDS O60760 2/20 0.44
GABRA1 P14867 8/20 0.43
GABRB2 P47870 7/20 0.43
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2C P28335 3/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
ADRB2 P07550 1/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38

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
Hydrochloric Acid SCHEMBL6806273 0.98 SLC18A3 (0.46) SLC18A3SIGMAR1HPGDSGABRA1GABRB2
SCHEMBL312409 0.97 SLC18A3 (0.50) SLC18A3SIGMAR1HPGDSGABRA1GABRB2
Hydrochloric Acid SCHEMBL311386 0.95 SLC18A3 (0.49) SLC18A3SIGMAR1HPGDSGABRA1GABRB2
Hydrochloric Acid SCHEMBL1653372 0.95 SLC18A3 (0.49) SLC18A3SIGMAR1HPGDSGABRA1GABRB2
SCHEMBL27776218 0.85 HTR3A (0.46) SLC18A3SIGMAR1GABRA1GABRG2GABRB3
SCHEMBL311619 0.85 MKNK1 (0.54) HTR2CHTR2A
SCHEMBL2315850 0.85 HPGDS (0.61) SLC18A3SIGMAR1HPGDSGABRA1GABRB2
Hydrochloric Acid SCHEMBL15732595 0.84 HTR3A (0.45) GABRA1GABRG2GABRB3KMT2AHTR2C
SCHEMBL6167771 0.83 HPGDS (0.48) HPGDSHTR2CHTR2AKCNH2IKBKB
SCHEMBL242610 0.83 ADORA1 (0.52) ADORA3ADORA2BADORA1

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 7 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
EP-1349850-B1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOD CONSEILS RECH APPLIC (FR) 2005-09-07 EP disclosed
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 SLC18A3 2464/4885SIGMAR1 164/4885HPGDS 3832/4885

“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.