SCHEMBL5887954

SCHEMBL5887954

CCC1C=C(C(=O)OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.35
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 2/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HTR5A P47898 1/20 0.32
CRBN Q96SW2 1/20 0.32
PTPN1 P18031 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPT P10636 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
SCHEMBL5887947 0.79 OAT (0.44) LMNA
SCHEMBL10293946 0.78 CHRNB2 (0.36) DRD3
SCHEMBL4593737 0.76 CHRM3 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13677468 0.76 CHRM3 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL6538254 0.76 CHRM3 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL19944587 0.74 CHRM3 (0.37) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL19944817 0.73 DRD3 (0.42) CHRM3DRD2DRD4DRD3HTR5A
SCHEMBL19559700 0.73 CHRM3 (0.36) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL7510499 0.72 MMP2 (0.33) HSD17B10
SCHEMBL13677451 0.70 CYP19A1 (0.36) CHRM3CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935263-B1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-12-05 EP disclosed
EP-2951180-B1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-9682978-B2 2,6,7 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-06-20 US disclosed
US-9540377-B2 2,6,7,8 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-20150368247-A1 2,6,7 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-24 US disclosed
EP-2953470-A1 2,6,7 SUBSTITUTED PURINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-16 EP disclosed
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2951180-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-09 EP disclosed
EP-2935263-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
US-8962611-B2 Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-24 US disclosed
US-20140357618-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME LLC 2014-12-04 US disclosed
US-8846657-B2 Substituted imidazopyridines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-30 US disclosed
WO-2014123882-A1 2,6,7 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
WO-2014120748-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 WO disclosed
WO-2014100065-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
US-20140179680-A1 Substituted Imidazopyridines as HDM2 Inhibitors MERCK SHARP & DOHME LLC 2014-06-26 US disclosed
US-7052742-B1 Five membered-ring compounds and utilization thereof in liquid crystal mixtures CLARIANT INTERNATIONAL LTD. (CH) 2006-05-30 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 (4 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-20150368247-A1 2,6,7 SUBSTITUTED PURINES AS HDM2 INHIBITORS DDX21, NSUN2, DHX29 CHRM3 4873/4885CHRM2 4851/4885CHRM4 4882/4885
US-20140179680-A1 Substituted Imidazopyridines as HDM2 Inhibitors DDX21, ING2, MDM2 CHRM3 4859/4885CHRM2 4873/4885CHRM4 4882/4885
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS DDX21, DPYD, NSUN2 CHRM3 4862/4885CHRM2 4830/4885CHRM4 4874/4885
US-20140357618-A1 SUBSTITUTED IMIDAZOPYRIDINES AS HDM2 INHIBITORS DDX21, ING2, MDM2 CHRM3 4859/4885CHRM2 4873/4885CHRM4 4882/4885

“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.