SCHEMBL14804156

SCHEMBL14804156

Cc1nn(C2CCCCO2)c2ccc(OCc3cnc(Nc4ccc(OC(F)(F)F)cc4)nc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ ABL1 P00519 3/20 0.37
▸ BCR P11274 3/20 0.37
▸ ALOX5AP P20292 9/20 0.37
▸ GALR2 O43603 1/20 0.36
▸ GALR1 P47211 1/20 0.36
▸ SYK P43405 2/20 0.36
▸ LCK P06239 1/20 0.34

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
SCHEMBL14800005 0.91 CYP4F2 (0.37) CYP4F2CYP4A11ABL1BCRALOX5AP
SCHEMBL24013115 0.79 CYP4F2 (0.47) CYP4F2CYP4A11
SCHEMBL24012651 0.72 LSS (0.38) CYP4F2CYP4A11
SCHEMBL26131596 0.71 CYP4F2 (0.38) CYP4F2CYP4A11
SCHEMBL30616252 0.71 CYP4F2 (0.38) CYP4F2CYP4A11
SCHEMBL14804123 0.71 SMO (0.40) ABL1BCRSYK
SCHEMBL21218011 0.70 GRM4 (0.39) CYP4F2CYP4A11SYK
SCHEMBL21217786 0.69 GRM4 (0.40) CYP4F2CYP4A11SYK
SCHEMBL14800725 0.69 MAPT (0.45) ABL1BCRSYK
SCHEMBL24012457 0.68 CYP4F2 (0.46) CYP4F2CYP4A11

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-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 — — US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A CYP4F2 1592/4885CYP4A11 2947/4885ABL1 1862/4885

“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.

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