SCHEMBL6048484

SCHEMBL6048484

CN(C)Cc1ccccc1-c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
PTPRC P08575 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PRNP P04156 1/20 0.48
PDCD1 Q15116 2/20 0.48
CD274 Q9NZQ7 2/20 0.48
CYP1A2 P05177 6/20 0.47
CYP3A4 P08684 6/20 0.47
CYP2D6 P10635 6/20 0.47
CLK4 Q9HAZ1 4/20 0.47
CYP2C19 P33261 5/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP2C9 P11712 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44

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 SCHEMBL6048595 0.98 GABRA1 (0.48) GABRA1GABRB2PTPRCMEN1KMT2A
SCHEMBL7040631 0.77 TAAR1 (0.54) GABRA1GABRB2PTPRCMEN1KMT2A
SCHEMBL9308665 0.77 CD274 (0.52) GABRA1GABRB2PTPRCMEN1KMT2A
SCHEMBL5282347 0.76 PTPRC (0.55) GABRA1GABRB2PTPRCMEN1KMT2A
SCHEMBL1111899 0.73 ALDH1A1 (0.49) PTPRCMEN1KMT2APDCD1CD274
SCHEMBL6048497 0.73 SLC6A4 (0.54) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL6048560 0.73 SLC6A4 (0.58) CYP1A2CYP3A4CYP2D6CLK4CYP2C19
SCHEMBL26613458 0.73 PTPRC (0.53) GABRA1GABRB2PTPRCMEN1KMT2A
SCHEMBL3464186 0.73 DPP4 (0.54) KMT2APDCD1CD274CYP1A2CYP3A4
SCHEMBL31366955 0.72 PTPRC (0.55) PTPRCMEN1KMT2ACYP3A4CYP2D6

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 GABRA1 3912/4885GABRB2 3298/4885PTPRC 2293/4885

“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.