SCHEMBL14828705

SCHEMBL14828705

CN1CCCC[C@H]1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL9917275 1.00 CYP1A2 (0.38) CYP1A2CHRNB2CHRNA7CHRNA4
SCHEMBL17148636 0.98 CYP1A2 (0.41) CYP1A2CHRNB2CHRNA7CHRNA4
SCHEMBL4729067 0.92 CHRNB2 (0.34) CHRNB2CHRNA7CHRNA4
SCHEMBL13698049 0.92 CHRNB2 (0.34) CHRNB2CHRNA7CHRNA4
SCHEMBL13698050 0.92 CHRNB2 (0.34) CHRNB2CHRNA7CHRNA4
SCHEMBL9891493 0.81
SCHEMBL24003182 0.81 CYP1A2 (0.35) CYP1A2
SCHEMBL8161674 0.81 CYP1A2 (0.35) CYP1A2
SCHEMBL22267858 0.81 CYP1A2 (0.39) CYP1A2
SCHEMBL15314566 0.81 CYP1A2 (0.35) CYP1A2

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-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 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-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 CYP1A2 3174/4885CHRNB2 4876/4885CHRNA7 4832/4885

“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.