SCHEMBL311158

SCHEMBL311158

COc1ccc(-c2c[nH]c(C3CCNCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HTR2C P28335 3/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
PDGFRB P09619 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLAT P00750 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
UBE2N P61088 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ENPP3 O14638 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL311619 0.81 MKNK1 (0.54) HTR2CHTR2AHTR2BPLAT
SCHEMBL27776218 0.81 HTR3A (0.46) KMT2AHTR2CHTR2AHTR2BKDM1A
SCHEMBL6166041 0.81 SLC18A3 (0.47) KMT2AMEN1HTR2CHTR2A
SCHEMBL312409 0.81 SLC18A3 (0.50) KMT2AMEN1HTR2CHTR2A
Hydrochloric Acid SCHEMBL6806273 0.80 SLC18A3 (0.46) KMT2AMEN1HTR2CHTR2A
Hydrochloric Acid SCHEMBL15732595 0.80 HTR3A (0.45) KMT2AHTR2CHTR2AHTR2BKDM1A
Hydrochloric Acid SCHEMBL311386 0.80 SLC18A3 (0.49) KMT2AMEN1HTR2CHTR2A
Hydrochloric Acid SCHEMBL1653372 0.80 SLC18A3 (0.49) KMT2AMEN1HTR2CHTR2A
SCHEMBL311507 0.79 HTR2A (0.43) HTR2CHTR2AHTR2BPLATKDM4E
SCHEMBL6168935 0.79 HTR2B (0.48) KMT2AMEN1HTR2BKDM4EALDH1A1

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 11 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-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 WO 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 (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-20040077640-A1 Sodium channel modulators derived from 2-piperidylimidazoles KCNH1, HCN4, KCNH2 KMT2A 3010/4885MEN1 4835/4885HTR2C 652/4885
US-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 KMT2A 3302/4885MEN1 3248/4885HTR2C 3714/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 KMT2A 3302/4885MEN1 3248/4885HTR2C 3714/4885

“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.