SCHEMBL9968983

SCHEMBL9968983

CC(C)(C)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.48
CHRM2 P08172 2/20 0.48
ADRA2A P08913 2/20 0.48
CHRM1 P11229 2/20 0.48
DRD1 P21728 2/20 0.48
DRD3 P35462 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KCNH2 Q12809 2/20 0.48
HTR2B P41595 2/20 0.48
CYP2D6 P10635 2/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM3 P20309 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48
OPRL1 P41146 5/20 0.47
OPRD1 P41143 3/20 0.47

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
SCHEMBL23762504 0.78 OPRM1 (0.46) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL6843039 0.78 OPRM1 (0.53) OPRM1CHRM2ADRA2ACHRM1DRD1
Ammonia Solution, Strong SCHEMBL29274480 0.76 OPRM1 (0.52) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL4388706 0.75 KMT2A (0.46) OPRM1CYP2D6OPRL1OPRD1OPRK1
SCHEMBL16448458 0.74 OPRM1 (0.50) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL2888538 0.74 OPRM1 (0.48) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL5695024 0.74 OPRM1 (0.48) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL72466 0.74 OPRM1 (0.48) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL48800 0.74 OPRM1 (0.48) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL1602721 0.74 OPRM1 (0.48) OPRM1CHRM2ADRA2ACHRM1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253548-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-08-19 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (7 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 OPRM1 1357/4885CHRM2 1854/4885ADRA2A 3678/4885
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 OPRM1 445/4885CHRM2 1102/4885ADRA2A 175/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 OPRM1 1357/4885CHRM2 1854/4885ADRA2A 3678/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC OPRM1 1858/4885CHRM2 3436/4885ADRA2A 4261/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 OPRM1 1357/4885CHRM2 1854/4885ADRA2A 3678/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 OPRM1 4305/4885CHRM2 2135/4885ADRA2A 4518/4885
US-20210253548-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF RDX, RRM1, BRIX1 OPRM1 814/4885CHRM2 451/4885ADRA2A 112/4885

“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.