SCHEMBL3088979

SCHEMBL3088979

CC(O)c1ccccc1C1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM5 P08912 5/20 0.39
CHRM3 P20309 5/20 0.39
CHRM2 P08172 5/20 0.39
CHRM1 P11229 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PRCP P42785 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 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
SCHEMBL20595714 0.88 PRCP (0.39) CHRNB2CHRNA4PRCP
SCHEMBL20595810 0.88 PRCP (0.39) CHRNB2CHRNA4PRCP
SCHEMBL29589340 0.87 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL23323218 0.87 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL23323076 0.87 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL23057911 0.87 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL29588263 0.87 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
Hydrochloric Acid SCHEMBL23064486 0.85 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
Hydrochloric Acid SCHEMBL28521128 0.85 TAAR1 (0.43) TAAR1MEN1KMT2ACHRM5CHRM3
SCHEMBL6379233 0.85 TAAR1 (0.39) TAAR1MEN1KMT2ACHRM5CHRM3

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
US-7799952-B2 Stereoselective method for the production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2010-09-21 US disclosed
US-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2009-06-11 US disclosed
US-7507827-B2 Stereoselective method for the production of Clopidogrel RATIOPHARM GMBH (DE) 2009-03-24 US disclosed
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel RATIOPHARM GMBH (DE) 2007-09-20 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 (2 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-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol ADH5, ADH1A, ADH1C TAAR1 741/4885MEN1 1230/4885KMT2A 3032/4885
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel CYP2C19, ADH1C, TBXA2R TAAR1 542/4885MEN1 3470/4885KMT2A 2966/4885

“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.