SCHEMBL2994675

SCHEMBL2994675

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)N[C@H]2CN3CCC2CC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.48
HTR3A P46098 2/20 0.48
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 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
SCHEMBL2993319 1.00 CHRNA7 (0.48) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL2989774 0.84 PARP10 (0.50) MEN1KMT2A
SCHEMBL2986509 0.80 ALOX5 (0.46)
SCHEMBL2986740 0.80 PARP10 (0.57) MEN1KMT2A
SCHEMBL2992095 0.80 PARP10 (0.45) MEN1KMT2A
SCHEMBL3000605 0.80 DRD4 (0.49)
SCHEMBL3000230 0.80 SLC6A5 (0.58)
SCHEMBL2995598 0.80 USP30 (0.47) MEN1KMT2A
SCHEMBL3000342 0.80 HPGDS (0.53)
SCHEMBL977697 0.78 ALOX5AP (0.51) CHRNA7HTR3AHTR3EHTR3BALOX15

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 CHRNA7 4406/4885HTR3A 1170/4885HTR3E 750/4885

“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.