SCHEMBL977374

SCHEMBL977374

COc1ccc(-c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CCCCC3)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SYK P43405 10/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ INCENP Q9NQS7 1/20 0.42
▸ ALOX5AP P20292 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MAPK14 Q16539 1/20 0.40
▸ SMO Q99835 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.37

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
SCHEMBL978365 0.97 MAPT (0.43) MAPTNPC1RAB9ASYKAURKB
SCHEMBL977769 0.89 NPC1 (0.43) MAPTNPC1RAB9ASYKAURKB
SCHEMBL974877 0.85 NPC1 (0.44) MAPTNPC1RAB9ASYKAURKB
SCHEMBL975263 0.84 ALOX5AP (0.60) MAPTNPC1RAB9ASYKAURKB
SCHEMBL975773 0.81 CYP1A2 (0.47) SYKAURKBINCENPALOX5APCYP3A4
SCHEMBL978616 0.81 MAPK14 (0.44) MAPTNPC1RAB9ASYKAURKB
SCHEMBL975300 0.81 ALOX5AP (0.61) MAPTNPC1RAB9ASYKAURKB
SCHEMBL977680 0.80 MAPK14 (0.47) SYKAURKBINCENPALOX5APCYP3A4
SCHEMBL12920684 0.77 CYP1A2 (0.40) MAPTNPC1RAB9ASYKAURKB
SCHEMBL976155 0.77 MAPK14 (0.47) SYKAURKBINCENPALOX5APCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 — — US disclosed
EP-2209761-A1 DIPHENYL SUBSTITUTED CYCLOALKANES Merck Sharp & Dohme Corp. (US) 2010-07-28 — — EP disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 — — 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S MAPT 4778/4885NPC1 721/4885RAB9A 4304/4885

“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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