SCHEMBL1661703

SCHEMBL1661703

NC(c1ccc2ccccc2c1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.44
SLC6A4 P31645 13/20 0.44
SLC6A3 Q01959 13/20 0.44
KCNH2 Q12809 8/20 0.44
CYP3A4 P08684 5/20 0.44
CYP2D6 P10635 5/20 0.44
UGT2B7 P16662 1/20 0.42
AOC3 Q16853 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 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
SCHEMBL809100 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL808762 0.91 HTR2A (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL27653549 0.91 HTR2A (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL808764 0.88 CASR (0.42) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL809120 0.86 HTR2A (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL809112 0.86 CASR (0.46) SLC6A2SLC6A4SLC6A3CYP2D6UGT2B7
SCHEMBL809143 0.84 TAAR1 (0.47)
SCHEMBL27653553 0.84 HTR2A (0.41) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4
SCHEMBL809144 0.84 TAAR1 (0.47)
SCHEMBL27653552 0.84 HTR2A (0.41) SLC6A2SLC6A4SLC6A3KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 EP disclosed
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 US disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
CN-100436406-C Process for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 CN disclosed
EP-1958940-A1 CONDENSATION REACTION BY METAL CATALYST Takasago International Corporation (JP) 2008-08-20 EP disclosed
CN-101125833-A Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL CO (JP) 2008-02-20 CN disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
CN-1898193-A Method for producing optically active bisamidealcohol compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN 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 (3 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-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R SLC6A2 4602/4885SLC6A4 3420/4885SLC6A3 4490/4885
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 SLC6A2 2607/4885SLC6A4 2470/4885SLC6A3 1876/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R SLC6A2 4602/4885SLC6A4 3420/4885SLC6A3 4490/4885

“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.