SCHEMBL10029044

SCHEMBL10029044

CN(c1ccccc1)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
CHRM2 P08172 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
DRD1 P21728 2/20 0.44
DRD3 P35462 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM3 P20309 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
CACNA2D1 P54289 3/20 0.42
CACNA1B Q00975 3/20 0.42

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
SCHEMBL2915912 0.84 OPRM1 (0.48) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL10564558 0.82 CYP2D6 (0.37) KCNH2CHRM4CYP2D6CHRM3KMT2A
SCHEMBL7486355 0.77 OPRM1 (0.44) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL1221934 0.77 KMT2A (0.49) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL1733204 0.76 KMT2A (0.43) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL21848133 0.76 CHRM4 (0.46) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL13778883 0.76 CYP2D6 (0.44) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL13778878 0.76 KMT2A (0.50) CYP2D6CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL14141052 0.76 OPRM1 (0.41) OPRM1CHRM2ADRA2ACHRM1DRD1
SCHEMBL13778885 0.75 CCR5 (0.47) CYP2D6CACNA2D1CACNA1BCACNB1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078161-B2 Rock-inhibiting compound and uses thereof HITGEN INC. (CN) 2021-08-03 US disclosed
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN INC. (CN) 2020-06-18 US disclosed
US-8207355-B2 Method for preparing azetidine derivatives SANOFI-AVENTIS (FR) 2012-06-26 US disclosed
US-8071788-B2 Method and intermediates for the preparation of derivatives of N-(1-benzhydrylazetidin-3-yl)-N-phenylmethylsulfonamide SANOFI-AVENTIS (FR) 2011-12-06 US disclosed
US-20110118481-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-05-19 US disclosed
US-20100087414-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE SANOFI-AVENTIS (FR) 2010-04-08 US disclosed
US-7652154-B2 Method and intermediates for the preparation of derivatives of N (1-benzhydrylazetidin-3-yl)-N-phenylmethylsulfonamide SANOFI-AVENTIS (FR) 2010-01-26 US disclosed
US-20080312205-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE SANOFI-AVENTIS (FR) 2008-12-18 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 (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-11078161-B2 Rock-inhibiting compound and uses thereof ROCK1, ROCK2, RHOA OPRM1 4230/4885CHRM2 1145/4885ADRA2A 2028/4885
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF ROCK1, ROCK2, RHOA OPRM1 4230/4885CHRM2 1145/4885ADRA2A 2028/4885
US-20100087414-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE NPEPPS, DHPS, NISCH OPRM1 3159/4885CHRM2 3934/4885ADRA2A 4191/4885
US-20080312205-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE NPEPPS, DHPS, NISCH OPRM1 3159/4885CHRM2 3934/4885ADRA2A 4191/4885
US-20110118481-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES QDPR, AZI2, NISCH OPRM1 2538/4885CHRM2 2313/4885ADRA2A 184/4885

“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.