SCHEMBL974841

SCHEMBL974841

O=C(NC1CC1)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
DRD4 P21917 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 1/20 0.46
ALOX5 P09917 1/20 0.45
MAPK14 Q16539 3/20 0.44
SMO Q99835 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HSD11B1 P28845 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 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
SCHEMBL977050 0.99 PARP10 (0.51) PARP10DRD4NPC1RAB9AMAPT
SCHEMBL976548 0.97 PARP10 (0.51) PARP10DRD4NPC1RAB9AMAPT
SCHEMBL975686 0.90 PARP10 (0.48) PARP10DRD4MAPK14SMOMEN1
SCHEMBL975297 0.90 PARP10 (0.48) PARP10DRD4NPC1RAB9AMAPK14
SCHEMBL975183 0.89 PARP10 (0.56) PARP10MAPTMAPK14SMOSMN1; SMN2
SCHEMBL977351 0.88 PARP10 (0.52) PARP10MAPK14SMOSMN1; SMN2MEN1
SCHEMBL977936 0.87 SMN1; SMN2 (0.49) PARP10NPC1RAB9AMAPK14SMO
SCHEMBL975604 0.86 PARP10 (0.53) PARP10MAPK14SMOSMN1; SMN2MEN1
SCHEMBL976551 0.85 PARP10 (0.56) PARP10ALOX5MAPK14SMOSMN1; SMN2
SCHEMBL975447 0.84 PARP10 (0.53) PARP10MAPK14SMOSMN1; SMN2MEN1

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 PARP10 567/4885DRD4 2640/4885NPC1 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.