SCHEMBL3000230

SCHEMBL3000230

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NC2CCN(CCF)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 12/20 0.58
DRD4 P21917 1/20 0.49
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
SCN1A P35498 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
SLC5A7 Q9GZV3 1/20 0.44

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
SCHEMBL3000342 0.90 HPGDS (0.53) SLC6A5DRD4SCN1ASCN5ASCN9A
SCHEMBL3000605 0.90 DRD4 (0.49) SLC6A5DRD4SCN1ASCN5ASCN9A
SCHEMBL2989774 0.89 PARP10 (0.50) SLC6A5DRD4
SCHEMBL2995598 0.85 USP30 (0.47) DRD4ALDH1A1PKM
SCHEMBL2986509 0.84 ALOX5 (0.46) DRD4
SCHEMBL2993319 0.80 CHRNA7 (0.48)
SCHEMBL2994675 0.80 CHRNA7 (0.48)
SCHEMBL2986740 0.79 PARP10 (0.57) ALDH1A1
SCHEMBL3627614 0.78 SLC6A5 (0.52) SLC6A5DRD4SCN1ASCN5ASCN9A
SCHEMBL2992095 0.77 PARP10 (0.45) LMNA

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 SLC6A5 4522/4885DRD4 2509/4885HTR1A 645/4885

“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.