SCHEMBL6287003

SCHEMBL6287003

CC1CN(C)CCC1Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 7/20 0.41
SSTR1 P30872 5/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
KDM1A O60341 2/20 0.39
CHRM1 P11229 2/20 0.39
MAOB P27338 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
POLB P06746 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL26250934 0.84 POLB (0.59) SSTR4SSTR1POLBSLC6A3
SCHEMBL26251134 0.84 SSTR4 (0.42) SSTR4SSTR1POLBCYP2D6HRH3
SCHEMBL26251110 0.84 SSTR4 (0.42) SSTR4SSTR1POLBCYP2D6HRH3
SCHEMBL26250930 0.81 ALDH1A1 (0.43) POLBHRH3
SCHEMBL9721593 0.80 SLC6A2 (0.42) CARM1PRMT6KDM1ACHRM1MAOB
SCHEMBL9721604 0.80 SLC6A2 (0.42) CARM1PRMT6KDM1ACHRM1MAOB
SCHEMBL9721609 0.80 SLC6A2 (0.42) CARM1PRMT6KDM1ACHRM1MAOB
SCHEMBL10431878 0.78 NPC1 (0.43)
SCHEMBL22634137 0.78 ACHE (0.56) OPRM1
SCHEMBL11236449 0.77 CARM1 (0.55) CARM1PRMT6KDM1ACHRM1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900228-B1 Opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2005-05-31 US disclosed
US-20040146518-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2004-07-29 US disclosed
US-20030158415-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE 2003-08-21 US disclosed
US-6593348-B2 N-substituted(+)-(3R,4R)-dimethyl-4-(3-hydroxyphenyl)piperidine compounds; opiod receptors RESEARCH TRIANGLE INSTITUTE 2003-07-15 US disclosed
US-6552032-B2 N-substituted (+)-(3R,4R)-dimethyl-4-(3-hydroxyphenyl) piperidine (4a) derivatives RESEARCH TRIANGLE INSTITUTE 2003-04-22 US disclosed
US-6531481-B2 Opioid receptor antagonists and agonists; for example, a 1-(arylcarbonylaminoalkyl),3,4-dimethyl-4-(3-hydroxyphenyl)-piperidine compound of given formula RESEARCH TRIANGLE INSTITUTE 2003-03-11 US disclosed
US-20020193602-A1 Novel opiate compounds, methods of making and methods of use RESEARCH TRIANGLE INSTITUTE (US) 2002-12-19 US disclosed
US-20020169324-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 2002-11-14 US disclosed
US-20020165396-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 2002-11-07 US disclosed
EP-1061919-A4 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RES TRIANGLE INST (US) 2002-09-04 EP disclosed
EP-1061919-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE Carrol, Frank Ivy (US) 2000-12-27 EP disclosed
WO-1999045925-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 1999-09-16 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 (5 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-20020169324-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE OPRK1, OPRM1, OPRL1 SSTR4 535/4885SSTR1 733/4885CARM1 3792/4885
US-20030158415-A1 Novel opiate compounds, methods of making and methods of use OPRL1, OPRM1, OPRK1 SSTR4 684/4885SSTR1 614/4885CARM1 3387/4885
US-20020193602-A1 Novel opiate compounds, methods of making and methods of use OPRK1, OPRM1, OPRL1 SSTR4 535/4885SSTR1 733/4885CARM1 3792/4885
US-20020165396-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE OPRK1, OPRM1, OPRL1 SSTR4 535/4885SSTR1 733/4885CARM1 3792/4885
US-20040146518-A1 Novel opiate compounds, methods of making and methods of use OPRK1, OPRM1, OPRL1 SSTR4 535/4885SSTR1 733/4885CARM1 3792/4885

“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.