SCHEMBL14431420

SCHEMBL14431420

CC(C)(C)OC(=O)N1CCCC1COc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.48
▸ FEN1 P39748 1/20 0.48
▸ CNR2 P34972 4/20 0.43
▸ F2RL3 Q96RI0 4/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14453645 0.85 MAPT (0.48) ALOX5APFEN1CNR2LMNAMAPT
SCHEMBL31615928 0.83 NPC1 (0.47) ALOX5APFEN1F2RL3MAPT
SCHEMBL5162273 0.82 SCN9A (0.54) ALOX5APFEN1MAPT
SCHEMBL5163390 0.82 SCN9A (0.54) ALOX5APFEN1MAPT
SCHEMBL5068253 0.82 SCN9A (0.54) ALOX5APFEN1MAPT
SCHEMBL4372549 0.82 ALOX5AP (0.48) ALOX5APFEN1F2RL3
SCHEMBL4367186 0.82 ALOX5AP (0.48) ALOX5APFEN1F2RL3
SCHEMBL13419700 0.82 ALOX5AP (0.51) ALOX5APFEN1F2RL3
SCHEMBL4319486 0.81 ALOX5AP (0.47) ALOX5APFEN1MAPT
SCHEMBL4320534 0.81 ALOX5AP (0.47) ALOX5APFEN1MAPT

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-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 ALOX5AP 4621/4885FEN1 3430/4885CNR2 1743/4885

“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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