SCHEMBL2986509

SCHEMBL2986509

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NC2CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
PARP10 Q53GL7 1/20 0.46
SMO Q99835 8/20 0.43
MAPK14 Q16539 7/20 0.43
DRD4 P21917 1/20 0.43
KCNH2 Q12809 1/20 0.42
HPGDS O60760 1/20 0.41

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
SCHEMBL2989774 0.93 PARP10 (0.50) ALOX5PARP10SMOMAPK14DRD4
SCHEMBL2995598 0.84 USP30 (0.47) DRD4
SCHEMBL3000342 0.84 HPGDS (0.53) DRD4HPGDS
SCHEMBL3000605 0.84 DRD4 (0.49) DRD4
SCHEMBL3000230 0.84 SLC6A5 (0.58) DRD4
SCHEMBL2986740 0.83 PARP10 (0.57) PARP10SMOMAPK14
SCHEMBL2994675 0.80 CHRNA7 (0.48)
SCHEMBL2993319 0.80 CHRNA7 (0.48)
SCHEMBL12356701 0.80 PARP10 (0.55) PARP10SMOMAPK14
SCHEMBL2250280 0.80 PARP10 (0.55) PARP10SMOMAPK14

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 5 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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US 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 ALOX5 1/4885PARP10 1048/4885SMO 2133/4885

“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.