SCHEMBL16871076

SCHEMBL16871076

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.48
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ CASR P41180 3/20 0.41
▸ SLC22A1 O15245 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ HTR2A P28223 2/20 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
SCHEMBL16871039 1.00 AOC3 (0.48) AOC3SLC6A2SLC6A4CASRSLC22A1
SCHEMBL16871041 1.00 AOC3 (0.48) AOC3SLC6A2SLC6A4CASRSLC22A1
SCHEMBL15026291 1.00 AOC3 (0.48) AOC3SLC6A2SLC6A4CASRSLC22A1
SCHEMBL16871058 0.84 CASR (0.43) AOC3SLC6A2SLC6A4CASRL3MBTL1
SCHEMBL16871397 0.84 CASR (0.43) AOC3SLC6A2SLC6A4CASRL3MBTL1
SCHEMBL15026266 0.83 KDM4E (0.44) SLC22A1OPRM1HIF1ACYP2D6
SCHEMBL16871644 0.83 AOC3 (0.44) AOC3CASRL3MBTL1CHRM2CHRM1
SCHEMBL16871493 0.83 AOC3 (0.44) AOC3CASRL3MBTL1CHRM2CHRM1
SCHEMBL16871515 0.82 CASR (0.47) AOC3CASRMEN1KMT2A
SCHEMBL16871322 0.82 CASR (0.47) AOC3CASRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183727-A1 METHOD FOR THE PREPARATION OF 1-ARYL-1-ALKYL-2-ALKYL-3-DIALKYLAMINOPROPANE COMPOUNDS SIEGFRIED AG (CH) 2015-07-02 — — 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-20150183727-A1 METHOD FOR THE PREPARATION OF 1-ARYL-1-ALKYL-2-ALKYL-3-DIALKYLAMINOPROPANE COMPOUNDS CYP3A43, CYP1A2, CYP2C8 AOC3 124/4885SLC6A2 49/4885SLC6A4 516/4885

“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.

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