SCHEMBL3001003

SCHEMBL3001003

CCn1nnc(-c2ccc(C(C)(c3ccc(OCc4ncccn4)cc3)C(C)C)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAOB P27338 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALOX5AP P20292 1/20 0.40
▸ MAPT P10636 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
SCHEMBL2243764 0.89 ALOX5AP (0.53) AOC3NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL2997565 0.88 NPC1 (0.50) AOC3NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL2993029 0.88 NPC1 (0.52) NPC1RAB9AMAOBSMN1; SMN2RECQL
SCHEMBL3000148 0.84 AOC3 (0.41) AOC3NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL2997742 0.82 NPC1 (0.36) NPC1RAB9AMAOBSMN1; SMN2LMNA
SCHEMBL13248368 0.82 NPC1 (0.36) NPC1RAB9AMAOBSMN1; SMN2LMNA
SCHEMBL3000422 0.82 NPC1 (0.36) NPC1RAB9AMAOBSMN1; SMN2LMNA
SCHEMBL2245990 0.77 ALOX5AP (0.54) NPC1RAB9AMAOBSMN1; SMN2LMNA
SCHEMBL3000768 0.76 MAOB (0.43) RAB9AMAOBALOX5AP
SCHEMBL2988798 0.75 LMNA (0.41) AOC3NPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 — — EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 — — EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 — — WO 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B AOC3 497/4885NPC1 603/4885RAB9A 4316/4885

“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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