SCHEMBL6048548

SCHEMBL6048548

CN(C)Cc1ccccc1-c1ccccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.43
CYP3A4 P08684 9/20 0.43
ALDH1A1 P00352 8/20 0.43
CLK4 Q9HAZ1 4/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 12/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 4/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 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
Hydrochloric Acid SCHEMBL6048502 0.98 CYP1A2 (0.42) CYP1A2CYP3A4ALDH1A1CLK4CYP2C19
SCHEMBL3150352 0.85 LMNA (0.48) CYP1A2ALDH1A1CYP2D6HPGDTDP1
SCHEMBL29957257 0.85 LMNA (0.48) CYP1A2ALDH1A1CYP2D6HPGDTDP1
SCHEMBL8612809 0.81 MEN1 (0.48) ALDH1A1CYP2D6HPGDTDP1MEN1
SCHEMBL10581801 0.78 LMNA (0.44) ALDH1A1HPGDTDP1MEN1LMNA
SCHEMBL9059725 0.77 ALDH1A1 (0.49) CYP3A4ALDH1A1CYP2C19CYP2D6KDM4E
SCHEMBL31175932 0.76 KMT2A (0.71) ALDH1A1HPGDTDP1MEN1LMNA
SCHEMBL2223292 0.76 LMNA (0.46) ALDH1A1HPGDTDP1MEN1LMNA
SCHEMBL249552 0.76 KMT2A (0.71) ALDH1A1HPGDTDP1MEN1LMNA
SCHEMBL27728932 0.76 DPP4 (0.52) ALDH1A1HPGDTDP1MEN1LMNA

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 CYP1A2 272/4885CYP3A4 115/4885ALDH1A1 1317/4885

“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.