SCHEMBL6048501

SCHEMBL6048501

CN(C)Cc1ccccc1-c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
CYP1A2 P05177 9/20 0.47
CYP2D6 P10635 9/20 0.47
CYP3A4 P08684 7/20 0.47
CLK4 Q9HAZ1 2/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2C19 P33261 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTR7 P34969 2/20 0.44
TACR1 P25103 1/20 0.43
HTR1A P08908 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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 SCHEMBL6048589 0.98 BACE1 (0.50) BACE1CYP1A2CYP2D6CYP3A4CLK4
SCHEMBL6048507 0.86 CYP1A2 (0.46) BACE1CYP1A2CYP2D6CYP3A4CLK4
Hydrochloric Acid SCHEMBL6048496 0.85 CYP1A2 (0.45) BACE1CYP1A2CYP2D6CYP3A4CLK4
SCHEMBL9288060 0.81 ALOX5AP (0.46) TAAR1
SCHEMBL31708384 0.81 ALOX5AP (0.46) TAAR1
SCHEMBL6048522 0.81 CYP1A2 (0.50) BACE1CYP1A2CYP2D6CYP3A4CLK4
SCHEMBL3465931 0.81 CYP2D6 (0.48) BACE1CYP1A2CYP2D6CYP3A4CLK4
SCHEMBL6048558 0.80 BACE1 (0.48) BACE1CYP1A2CYP2D6CYP3A4CLK4
SCHEMBL6048497 0.80 SLC6A4 (0.54) BACE1CYP1A2CYP2D6CYP3A4CLK4
SCHEMBL6048536 0.80 TAAR1 (0.57) BACE1CYP1A2CYP2D6CYP3A4CLK4

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 BACE1 2964/4885CYP1A2 272/4885CYP2D6 60/4885

“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.