SCHEMBL14596128

SCHEMBL14596128

COc1ccc(C(N)(c2ccc(OC)cc2)[C@H](C)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TDP1 Q9NUW8 3/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KIF11 P52732 6/20 0.40
SLC6A3 Q01959 1/20 0.40
AOC3 Q16853 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL635988 1.00 SLC6A4 (0.47) SLC6A4CA12CA1CA2CA7
SCHEMBL2837925 0.86 SLC6A4 (0.46) SLC6A4CA12CA1CA2CA7
SCHEMBL162234 0.86 SLC6A4 (0.46) SLC6A4CA12CA1CA2CA7
SCHEMBL636461 0.86 SLC6A4 (0.46) SLC6A4CA12CA1CA2CA7
SCHEMBL30664386 0.84 SLC6A4 (0.44) SLC6A4CA12CA1CA2CA7
SCHEMBL637387 0.80 SLC6A4 (0.44) SLC6A4CA12CA1CA2CA7
SCHEMBL10038034 0.80 ACHE (0.52) SLC6A4CA12CA1CA2CA7
SCHEMBL16329073 0.80 ACHE (0.52) SLC6A4CA12CA1CA2CA7
SCHEMBL1467139 0.79 ALDH1A1 (0.46) SLC6A4ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL9722972 0.79 LTA4H (0.45) CA1CA2CA9MAOAMAPK1

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-9079931-B2 Ruthenium complex and method for preparing optically active alcohol compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-14 US disclosed
EP-2563799-B1 RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND TAKASAGO PERFUMERY CO LTD (JP) 2015-02-11 EP disclosed
US-20130041151-A1 RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-02-14 US disclosed
US-20070010695-A1 Diphosphines, preparation and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-11 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-20130041151-A1 RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH5, ADH1C, ADH1A SLC6A4 3987/4885CA12 2846/4885CA1 2773/4885
US-20070010695-A1 Diphosphines, preparation and uses thereof MPI, ITPA, DCPS SLC6A4 4470/4885CA12 3105/4885CA1 3712/4885

“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.