SCHEMBL14828708

SCHEMBL14828708

CCC1C[C@@H](C)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TSHR P16473 1/20 0.38
PIK3CD O00329 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL19985698 1.00 NR1H2 (0.45) NR1H2CHRM2CHRM1CHRM3TSHR
SCHEMBL25626705 1.00 NR1H2 (0.45) NR1H2CHRM2CHRM1CHRM3TSHR
SCHEMBL30646926 0.88 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3TSHR
SCHEMBL15033787 0.87 NR1H2 (0.56) NR1H2CHRM2CHRM1CHRM3TSHR
SCHEMBL17331292 0.87 NR1H2 (0.56) NR1H2CHRM2CHRM1CHRM3TSHR
SCHEMBL10152546 0.86 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3TSHR
SCHEMBL28576704 0.86 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3TSHR
SCHEMBL21369480 0.86 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3TSHR
SCHEMBL22943927 0.84 NR1H2 (0.40) NR1H2CHRM2CHRM1CHRM3GPR119
SCHEMBL25339238 0.84 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR1H2 2700/4885CHRM2 4883/4885CHRM1 4866/4885

“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.