SCHEMBL10326466

SCHEMBL10326466

CCc1ccc(C(C)(c2ccc(CC)cc2)[C@H]2CCCN2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
CYP2A6 P11509 1/20 0.32
TACR1 P25103 4/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
HTR2C P28335 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10327169 1.00 CYP1A2 (0.41) CYP1A2CYP2D6NPC1RAB9ACYP2C19
SCHEMBL10326585 1.00 CYP1A2 (0.41) CYP1A2CYP2D6NPC1RAB9ACYP2C19
SCHEMBL10326278 0.83 HPGD (0.45) CYP1A2CYP2D6NPC1RAB9ACYP2C19
SCHEMBL10326277 0.83 HPGD (0.45) CYP1A2CYP2D6NPC1RAB9ACYP2C19
SCHEMBL12295292 0.81 CYP1A2 (0.44) CYP1A2CYP2D6NPC1RAB9ACYP2C19
SCHEMBL10326595 0.81 CYP1A2 (0.44) CYP1A2CYP2D6NPC1RAB9ACYP2C19
SCHEMBL10326467 0.81 CYP1A2 (0.44) CYP1A2CYP2D6NPC1RAB9ACYP2C19
SCHEMBL10327263 0.80 CYP2D6 (0.62) CYP1A2CYP2D6NPC1RAB9ACYP2C19
SCHEMBL10326582 0.80 CYP2D6 (0.62) CYP1A2CYP2D6NPC1RAB9ACYP2C19
SCHEMBL10326896 0.80 CYP2D6 (0.62) CYP1A2CYP2D6NPC1RAB9ACYP2C19

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 2 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

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 CYP1A2 1183/4885CYP2D6 1125/4885NPC1 2005/4885

“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.