SCHEMBL977936

SCHEMBL977936

O=C(NCCO)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
PARP10 Q53GL7 1/20 0.49
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK14 Q16539 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
POLB P06746 1/20 0.44
MDM2 Q00987 1/20 0.44
SMO Q99835 3/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL975183 0.88 PARP10 (0.56) SMN1; SMN2PARP10HPGDHSD17B10MAPK14
SCHEMBL974841 0.87 PARP10 (0.50) SMN1; SMN2RAB9ANPC1PARP10MAPK14
SCHEMBL977351 0.87 PARP10 (0.52) SMN1; SMN2PARP10HPGDHSD17B10MAPK14
SCHEMBL975592 0.86 MAPK14 (0.54) SMN1; SMN2RAB9ANPC1PARP10HPGD
SCHEMBL977050 0.86 PARP10 (0.51) RAB9ANPC1PARP10HPGDHSD17B10
SCHEMBL975604 0.85 PARP10 (0.53) SMN1; SMN2PARP10HPGDHSD17B10MAPK14
SCHEMBL976551 0.84 PARP10 (0.56) SMN1; SMN2PARP10HPGDMAPK14SMO
SCHEMBL977093 0.84 MAPK14 (0.54) SMN1; SMN2RAB9ANPC1PARP10HPGD
SCHEMBL976548 0.84 PARP10 (0.51) RAB9ANPC1PARP10HPGDHSD17B10
SCHEMBL978458 0.83 PARP10 (0.53) SMN1; SMN2RAB9ANPC1PARP10MAPK14

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 SMN1; SMN2 3930/4885RAB9A 4304/4885NPC1 721/4885

“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.