SCHEMBL3000342

SCHEMBL3000342

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.53
SLC6A5 Q9Y345 8/20 0.50
DRD4 P21917 1/20 0.49
SCN1A P35498 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL3000230 0.90 SLC6A5 (0.58) SLC6A5DRD4SCN1ASCN5ASCN9A
SCHEMBL3000605 0.90 DRD4 (0.49) SLC6A5DRD4SCN1ASCN5ASCN9A
SCHEMBL2989774 0.89 PARP10 (0.50) SLC6A5DRD4
SCHEMBL2995598 0.85 USP30 (0.47) DRD4
SCHEMBL2986509 0.84 ALOX5 (0.46) HPGDSDRD4
SCHEMBL2993319 0.80 CHRNA7 (0.48)
SCHEMBL2994675 0.80 CHRNA7 (0.48)
SCHEMBL2986740 0.79 PARP10 (0.57)
SCHEMBL3627614 0.78 SLC6A5 (0.52) SLC6A5DRD4SCN1ASCN5ASCN9A
SCHEMBL2992095 0.77 PARP10 (0.45)

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 2 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

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 HPGDS 39/4885SLC6A5 4522/4885DRD4 2509/4885

“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.