SCHEMBL803469

SCHEMBL803469

CC(C)(C)CC1CCC(Cc2cncnc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PDE9A O76083 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.30

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
SCHEMBL27946053 0.86 HRH4 (0.35) PDE9APIK3C3
SCHEMBL803100 0.80 CHRNA7 (0.47)
SCHEMBL803096 0.78 CYP19A1 (0.49)
SCHEMBL31200310 0.71 PLG (0.44)
SCHEMBL31200339 0.70 KDM4E (0.42)
SCHEMBL803677 0.70 KAT2B (0.40)
SCHEMBL803470 0.70 MAP4K4 (0.35) THRATHRBPIK3C3
SCHEMBL7155825 0.69
SCHEMBL18193689 0.69 CHRM2 (0.38) PDE9A
SCHEMBL803472 0.69 PIK3C3 (0.35) PIK3C3

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 THRA 652/4885THRB 507/4885PDE9A 1022/4885

“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.