SCHEMBL6048563

SCHEMBL6048563

CN(C)Cc1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.54
SLC6A2 P23975 8/20 0.54
SLC6A3 Q01959 8/20 0.54
HTR2A P28223 1/20 0.54
F10 P00742 2/20 0.49
GRM2 Q14416 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
BACE1 P56817 1/20 0.46
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS2 P35354 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
Hydrochloric Acid SCHEMBL6048512 0.98 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2AF10
SCHEMBL3464186 0.84 DPP4 (0.54) SLC6A4SLC6A2GRM2CYP1A2CYP3A4
SCHEMBL6048524 0.84 CYP1A2 (0.46) SLC6A4SLC6A2SLC6A3HTR2ACYP1A2
SCHEMBL6772767 0.83 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR2AGRM2
Hydrochloric Acid SCHEMBL6048562 0.82 DPP4 (0.52) SLC6A4SLC6A2GRM2CYP1A2CYP3A4
Bromide SCHEMBL27653706 0.82 DPP4 (0.52) SLC6A4SLC6A2GRM2CYP1A2CYP3A4
SCHEMBL24582843 0.82 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3GRM2CYP1A2
Hydrochloric Acid SCHEMBL6048504 0.82 CYP1A2 (0.45) SLC6A4SLC6A2SLC6A3HTR2ACYP1A2
SCHEMBL8035321 0.81 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3GRM2CYP1A2
SCHEMBL6048522 0.81 CYP1A2 (0.50) SLC6A4SLC6A2SLC6A3HTR2AGRM2

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-1202953-B1 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES GRUENENTHAL GMBH (DE) 2006-08-30 EP claimed
US-6710080-B2 ANALGESICS GRUENENTHAL GMBH (DE) 2004-03-23 US claimed
JP-2003506426-A 2003-02-18 JP claimed
US-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives GRUENENTHAL GMBH (DE) 2002-12-26 US claimed
EP-1202953-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2002-05-08 EP claimed
WO-2001010816-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2001-02-15 WO claimed
EP-1202953-B1 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES GRUENENTHAL GMBH (DE) 2006-08-30 EP disclosed
US-6710080-B2 ANALGESICS GRUENENTHAL GMBH (DE) 2004-03-23 US disclosed
US-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives GRUENENTHAL GMBH (DE) 2002-12-26 US disclosed
EP-1202953-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2002-05-08 EP disclosed
WO-2001010816-A2 SUBSTITUTED 2-DIALKYLAMINOALKYLBIPHENYL DERIVATIVES Grünenthal GmbH (DE) 2001-02-15 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-20020198251-A1 Substituted 2-dialkylaminoalkylbiphenyl derivatives LIPA, PKD1, PKD2 SLC6A4 1586/4885SLC6A2 1499/4885SLC6A3 1456/4885

“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.