SCHEMBL977306

SCHEMBL977306

CC(Oc1ccc([C@@]2(c3ccc(C(=O)NC4CC4)cc3)C[C@@H]3CC[C@H]2C3)cc1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
BRD2 P25440 1/20 0.47
KCNH2 Q12809 1/20 0.47
BRD3 Q15059 1/20 0.47
ALOX5AP P20292 12/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
JAK3 P52333 1/20 0.40
CREBBP Q92793 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
SCHEMBL977307 1.00 BRD4 (0.47) BRD4BRD2KCNH2BRD3ALOX5AP
SCHEMBL3656371 0.92 ALOX5AP (0.43) BRD4BRD2KCNH2BRD3ALOX5AP
SCHEMBL976521 0.92 ALOX5AP (0.43) BRD4BRD2KCNH2BRD3ALOX5AP
SCHEMBL974874 0.89 ALOX5AP (0.44) BRD4BRD2KCNH2BRD3ALOX5AP
SCHEMBL974876 0.89 ALOX5AP (0.44) BRD4BRD2KCNH2BRD3ALOX5AP
SCHEMBL976908 0.88 ALOX5AP (0.42) BRD4BRD2KCNH2BRD3ALOX5AP
SCHEMBL976910 0.88 ALOX5AP (0.42) BRD4BRD2KCNH2BRD3ALOX5AP
SCHEMBL978643 0.87 ALOX5AP (0.43) BRD4BRD2KCNH2BRD3ALOX5AP
SCHEMBL976566 0.86 ALOX5AP (0.41) BRD4ALOX5APJAK3CREBBP
SCHEMBL976564 0.86 ALOX5AP (0.41) BRD4ALOX5APJAK3CREBBP

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 BRD4 1514/4885BRD2 1923/4885KCNH2 3371/4885

“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.