SCHEMBL17314518

SCHEMBL17314518

CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
PREP P48147 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL17314517 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL29183836 0.84 TSHR (0.43) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL13634174 0.84 TSHR (0.43) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL20707140 0.84 TSHR (0.43) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL18710762 0.84 TSHR (0.43) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL23492915 0.84 GPR119 (0.38) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL24603315 0.83 TSHR (0.50) EPHX1
SCHEMBL1549880 0.82 CHRM2 (0.40) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL2544292 0.82 CHRM2 (0.40) CHRM2CHRM1CHRM3GPR119HSD17B10
SCHEMBL2536245 0.82 CHRM2 (0.40) CHRM2CHRM1CHRM3GPR119HSD17B10

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
EP-2951180-B1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-9540377-B2 2,6,7,8 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 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-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS DDX21, DPYD, NSUN2 CHRM2 4830/4885CHRM1 4854/4885CHRM3 4862/4885

“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.