SCHEMBL803472

SCHEMBL803472

CC(C)(C)CC1CCC(Cc2ccncn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.35
HSP90AA1 P07900 1/20 0.33
PIK3CD O00329 2/20 0.33
CXCR4 P61073 3/20 0.31
PDE4A P27815 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL7888316 0.88 PIK3C3 (0.38) PIK3C3HSP90AA1PIK3CDCXCR4PDE4A
SCHEMBL803399 0.79 KDM4E (0.40) CXCR4
SCHEMBL803465 0.79 GABRA1 (0.41)
SCHEMBL28502029 0.77 GBA1 (0.44) CXCR4
SCHEMBL803096 0.76 CYP19A1 (0.49)
SCHEMBL803470 0.75 MAP4K4 (0.35) PIK3C3PIK3CD
SCHEMBL803403 0.74 KDM4E (0.36) CXCR4
SCHEMBL16615298 0.73 CXCR4 (0.37) HSP90AA1CXCR4
SCHEMBL803080 0.72 PDE2A (0.37) CXCR4
SCHEMBL803111 0.71 HSP90AA1 (0.38) HSP90AA1

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 PIK3C3 4639/4885HSP90AA1 2767/4885PIK3CD 4174/4885

“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.