SCHEMBL803100

SCHEMBL803100

CC(C)(C)CC1CCC(Cc2cccnc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.47
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL24933229 0.88 CHRNB2 (0.56) CHRNA7CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL13503878 0.83 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL31054426 0.81 CHRNA7 (0.53) CHRNA7CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL9534698 0.81 CHRNA7 (0.53) CHRNA7CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL27686945 0.81 KDM4E (0.56) CHRNA7CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL17886930 0.80 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL8911540 0.80 KDM4E (0.54) CHRNA7CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL803469 0.80 THRA (0.33)
SCHEMBL803096 0.80 CYP19A1 (0.49) KDM4EALDH1A1
SCHEMBL13504063 0.79 CHRNA7 (0.46) CHRNA7CHRNB2CHRNA4KDM4EALDH1A1

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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CHRNA7 655/4885CHRNB2 636/4885CHRNA4 720/4885

“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.