SCHEMBL9230937

SCHEMBL9230937

Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H]2CCCN2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 2/20 0.68
KDM4E B2RXH2 1/20 0.68
NPC1 O15118 1/20 0.68
HPGD P15428 1/20 0.68
MAPK1 P28482 1/20 0.68
RAB9A P51151 1/20 0.68
CHRM2 P08172 3/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
HRH1 P35367 4/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
SCN1A P35498 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
SCHEMBL10326821 1.00 CYP2D6 (0.68) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL10326921 1.00 CYP2D6 (0.68) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL9160008 0.95 RAB9A (0.61) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL9160002 0.95 RAB9A (0.61) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL10326845 0.86 CYP2D6 (0.68) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL9230454 0.86 CYP2D6 (0.68) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL20833288 0.85 RAB9A (0.53) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL20832974 0.85 RAB9A (0.53) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL22260353 0.85 RAB9A (0.53) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL25973085 0.85 RAB9A (0.53) CYP2D6CYP1A2CYP2C19KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 US disclosed
EP-0657425-A1 Process for the preparation of chiral aminoalcohols Degussa Aktiengesellschaft (DE) 1995-06-14 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 (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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 CYP2D6 1125/4885CYP1A2 1183/4885CYP2C19 2363/4885

“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.