SCHEMBL22473531

SCHEMBL22473531

CC(C)(C)N1CCCC[C@@H]1c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.44
ATM Q13315 1/20 0.41
PRKCZ Q05513 1/20 0.40
PDE5A O76074 1/20 0.39
MAPK1 P28482 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL22473220 1.00 TRPA1 (0.44) TRPA1ATMPRKCZPDE5AMAPK1
SCHEMBL26818027 0.83 PSEN1 (0.43) PRKCZPDE5A
SCHEMBL188363 0.83 ALDH1A1 (0.40) MEN1KMT2A
SCHEMBL13676331 0.83 CHRNB2 (0.53)
SCHEMBL15831466 0.83 CHRNB2 (0.53)
SCHEMBL15831467 0.83 CHRNB2 (0.53)
SCHEMBL26818028 0.82 PSEN1 (0.43) PRKCZPDE5A
SCHEMBL24775430 0.81 CHRNB2 (0.51)
SCHEMBL24775157 0.81 CHRNB2 (0.51)
SCHEMBL23491513 0.80 PRMT5 (0.43) TRPA1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 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-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB TRPA1 2785/4885ATM 4258/4885PRKCZ 3893/4885

“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.