SCHEMBL3166369

SCHEMBL3166369

CC[C@](OP(=O)(O)O[C@@](CC)(c1cccc(OC)c1)[C@H](C)CN(C)C)(c1cccc(OC)c1)[C@H](C)CN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
KCNH2 Q12809 2/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
MRGPRX2 Q96LB1 1/20 0.40
CHRM3 P20309 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP2D6 P10635 4/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
AOC3 Q16853 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL3175520 1.00 HTR2A (0.40) HTR2AKCNH2OPRM1OPRD1MRGPRX2
SCHEMBL3179867 1.00 HTR2A (0.40) HTR2AKCNH2OPRM1OPRD1MRGPRX2
SCHEMBL3166657 1.00 HTR2A (0.40) HTR2AKCNH2OPRM1OPRD1MRGPRX2
SCHEMBL3160373 0.93 HTR2A (0.40) HTR2AKCNH2OPRM1OPRD1MRGPRX2
SCHEMBL3166362 0.93 HTR2A (0.40) HTR2AKCNH2OPRM1OPRD1MRGPRX2
SCHEMBL3169722 0.93 HTR2A (0.40) HTR2AKCNH2OPRM1OPRD1MRGPRX2
SCHEMBL3166467 0.93 HTR2A (0.40) HTR2AKCNH2OPRM1OPRD1MRGPRX2
SCHEMBL17750791 0.84 CYP2D6 (0.40) HTR2AKCNH2OPRM1OPRD1MRGPRX2
SCHEMBL22454446 0.84 CYP2D6 (0.40) HTR2AKCNH2OPRM1OPRD1MRGPRX2
SCHEMBL755809 0.83 KCNH2 (0.46) HTR2AKCNH2OPRM1OPRD1MRGPRX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888506-B1 SEPARATION OF STEREOISOMERIC N,N-DIALKYLAMINO-2-ALKYL-3-PHENYL ALKANES GRUENENTHAL GMBH (DE) 2013-03-20 EP claimed
US-20080269524-A1 Separation of Stereoisomeric N,N-Dialkylamino-2Alkyl-3-Hydroxy-3-Phenylalkanes GRUENENTHAL GMBH (DE) 2008-10-30 US claimed
US-7649114-B2 Separation of stereoisomeric N,N-dialkylamino-2alkyl-3-hydroxy-3-phenylalkanes GRUENENTHAL GMBH (DE) 2010-01-19 US disclosed
US-20080269524-A1 Separation of Stereoisomeric N,N-Dialkylamino-2Alkyl-3-Hydroxy-3-Phenylalkanes GRUENENTHAL GMBH (DE) 2008-10-30 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-20080269524-A1 Separation of Stereoisomeric N,N-Dialkylamino-2Alkyl-3-Hydroxy-3-Phenylalkanes IPO8, IPO7, IPO9 HTR2A 1865/4885KCNH2 68/4885OPRM1 724/4885

“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.