SCHEMBL6048482

SCHEMBL6048482

CN(C)Cc1ccccc1-c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CES2 O00748 1/20 0.44
ABCB11 O95342 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
TBXA2R P21731 1/20 0.44
AADAC P22760 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 1/20 0.44
HTT P42858 1/20 0.44
HTR6 P50406 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 SCHEMBL6048535 0.99 AR (0.44) ARCYP3A4CYP1A2CES2ABCB11
SCHEMBL6048540 0.79 CYP2D6 (0.45) ARCYP3A4CYP1A2ALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL6048557 0.78 CYP2D6 (0.44) ARCYP3A4CYP1A2ALDH1A1CYP2C19
SCHEMBL11318164 0.78 CYP3A4 (0.47) ARCYP3A4CYP1A2CES2ABCB11
SCHEMBL29074284 0.74 CRHBP (0.49) ARCYP3A4CYP1A2CES2ABCB11
SCHEMBL6048531 0.74 PTPRC (0.47) CYP1A2ALDH1A1LMNACYP2C9TSHR
Hydrochloric Acid SCHEMBL6048505 0.73 PTPRC (0.46) CYP1A2ALDH1A1LMNACYP2C9TSHR
SCHEMBL28260267 0.72 BCAT2 (0.45) ARCYP3A4CYP1A2CES2ABCB11
SCHEMBL12627934 0.71 ALDH1A1 (0.50) ARALDH1A1TSHRSMN1; SMN2
SCHEMBL250143 0.70 ALDH1A1 (0.62) ALDH1A1TSHRSLC6A4

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 9 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

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 AR 2899/4885CYP3A4 115/4885CYP1A2 272/4885

“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.