SCHEMBL4503243

SCHEMBL4503243

COc1ccc(CC(O)CN2CCN(CC(=O)NC3CCCC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.57
CYP2D6 P10635 2/20 0.55
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
SIGMAR1 Q99720 2/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADORA3 P0DMS8 2/20 0.47
LMNA P02545 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4500156 0.99 EPHX2 (0.59) EPHX2CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL4490566 0.90 CYP1A2 (0.55) EPHX2CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL4509510 0.89 CYP1A2 (0.57) EPHX2CYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL4859389 0.80 CYP3A4 (0.52) CYP2D6KDM4ECYP3A4SMN1; SMN2LMNA
SCHEMBL4862632 0.79 MEN1 (0.53) CYP2D6KDM4ECYP3A4SMN1; SMN2LMNA
SCHEMBL4491381 0.79 LMNA (0.70) CYP2D6NPC1SMN1; SMN2LMNAKMT2A
SCHEMBL4858045 0.78 ALDH1A1 (0.57) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4496607 0.78 LMNA (0.60) CYP2D6SMN1; SMN2LMNAKMT2A
SCHEMBL6284296 0.78 CYP2D6 (0.64) CYP2D6KDM4ECYP3A4LMNADRD4
SCHEMBL4490433 0.77 KMT2A (0.63) CYP2D6MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 US disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
US-20040176356-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 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 (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-20040176356-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A EPHX2 3983/4885CYP2D6 563/4885KDM4E 3425/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A EPHX2 3391/4885CYP2D6 238/4885KDM4E 2949/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A EPHX2 3391/4885CYP2D6 238/4885KDM4E 2949/4885

“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.