SCHEMBL2172550

SCHEMBL2172550

O[C@H]1CCNc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F12 P00748 8/20 0.36
BCHE P06276 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2C P28335 2/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL30290030 1.00 F12 (0.36) F12BCHEALDH1A1MEN1GAA
SCHEMBL2172225 1.00 F12 (0.36) F12BCHEALDH1A1MEN1GAA
SCHEMBL224810 1.00 F12 (0.36) F12BCHEALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL27979283 0.98 ALDH1A1 (0.37) F12BCHEALDH1A1MEN1GAA
Ethane SCHEMBL11061598 0.96 BCHE (0.36) F12BCHEHTR2C
SCHEMBL1652868 0.88 BCHE (0.34) F12BCHEALDH1A1MEN1GAA
SCHEMBL793625 0.78 CHRNB4 (0.37) ALDH1A1MEN1GAAKMT2A
SCHEMBL29636531 0.78 CHRNB4 (0.37) ALDH1A1MEN1GAAKMT2A
SCHEMBL8703745 0.78 CHRNB4 (0.37) ALDH1A1MEN1GAAKMT2A
SCHEMBL12350365 0.75 HTR2C (0.39) F12BCHEALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964925-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-1,2,3,4 -TETRAHYDROQUINOLINES MITSUBISHI TANABE PHARMA CORP (JP) 2016-03-30 EP disclosed
US-8754221-B2 Optically active cyclic alcohol compound and method for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-17 US disclosed
EP-2727594-A1 NOVEL PHARMACEUTICAL COMPOSITION Mitsubishi Tanabe Pharma Corporation (JP) 2014-05-07 EP disclosed
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-12 US disclosed
EP-2371820-B1 Optically active cyclic alcohol compound and method for preparing the same MITSUBISHI TANABE PHARMA CORP (JP) 2013-08-28 EP disclosed
US-8471028-B2 Optically active cyclic alcohol compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-25 US disclosed
EP-1944291-B1 Optically active cyclic alcohol compound and method for producing same MITSUBISHI TANABE PHARMA CORP (JP) 2012-06-13 EP disclosed
EP-2371820-A1 Optically active cyclic alcohol compound and method for preparing the same Mitsubishi Tanabe Pharma Corporation (JP) 2011-10-05 EP disclosed
US-20110196157-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION 2011-08-11 US disclosed
US-7989627-B2 Optically active cyclic alcohol compound and method for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-02 US disclosed
US-7972836-B2 Method of enzymatic optical resolution of racemic 4-hydroxy-1,2,3,4-tetrahydroquinoline MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-17 US disclosed
US-20090269821-A1 Method for Preparing Optically Active 4-Hydroxy-1,2,3,4-Tetrahydroquinoline Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-29 US disclosed
EP-1964925-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-1,2,3,4 -TETRAHYDROQUINOLINES Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-03 EP disclosed
EP-1944291-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PRODUCING SAME Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-16 EP 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-20110196157-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME ADH1C, ADH1A, ADH5 F12 999/4885BCHE 489/4885ALDH1A1 25/4885
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME ADH1C, ADH1A, ADH5 F12 999/4885BCHE 489/4885ALDH1A1 25/4885
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same ADH1C, ADH1A, ADH5 F12 999/4885BCHE 489/4885ALDH1A1 25/4885

“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.