SCHEMBL14136016

SCHEMBL14136016

CC1(C)CC(C)(C)C(=O)N1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9729943 0.78 TSHR (0.30) TSHRNPSR1
SCHEMBL22559988 0.74
SCHEMBL83504 0.73 TSHR (0.33) TSHRNPSR1
SCHEMBL24754608 0.70
SCHEMBL14663989 0.70
SCHEMBL14665131 0.70 TSHR (0.39) TSHRNPSR1
SCHEMBL14222027 0.69 TSHR (0.33) TSHRNPSR1
SCHEMBL1338593 0.67
SCHEMBL9719081 0.65 CYP19A1 (0.31) SMN1; SMN2
SCHEMBL3147309 0.65 CTSK (0.31) SMN1; SMN2

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 3 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
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (2 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SMN1; SMN2 4709/4885TSHR 4457/4885NPSR1 4685/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SMN1; SMN2 4709/4885TSHR 4457/4885NPSR1 4685/4885

“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.