SCHEMBL717567

SCHEMBL717567

CC(C)(C)OC(=O)N1CC(=O)CCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
UCHL1 P09936 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
BTK Q06187 1/20 0.36
NPC1 O15118 1/20 0.36
PTPN1 P18031 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
ELANE P08246 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
SCHEMBL4497625 1.00 HSD17B10 (0.43) HSD17B10SMN1; SMN2UCHL1CHRM2CHRM1
Ammonia Solution, Strong SCHEMBL28112854 0.98 HSD17B10 (0.42) HSD17B10SMN1; SMN2UCHL1CHRM2CHRM1
SCHEMBL721105 0.88 PTPN1 (0.38) HSD17B10UCHL1CHRM2CHRM1CHRM3
SCHEMBL19566140 0.88 NPC1 (0.38) HSD17B10UCHL1CHRM2CHRM1CHRM3
SCHEMBL717566 0.88 PTPN1 (0.38) HSD17B10UCHL1CHRM2CHRM1CHRM3
SCHEMBL85511 0.86 HSD17B10 (0.43) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL204965 0.86 HSD17B10 (0.43) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL204966 0.86 HSD17B10 (0.43) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL22543468 0.85 PTPN1 (0.46) HSD17B10UCHL1NPC1PTPN1
SCHEMBL10058225 0.85 PTPN1 (0.46) HSD17B10UCHL1NPC1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 EP disclosed
CN-105793242-B Phenoxyethyl cyclic amine derivatives and their activity as EP4 receptor modulators 伊莱利利公司 2018-02-16 CN disclosed
US-9776964-B2 Phenoxyethyl cyclic amine derivatives and their activity as EP4 receptor modulators ELI LILLY AND COMPANY (US) 2017-10-03 US disclosed
US-9776964-B2 Phenoxyethyl cyclic amine derivatives and their activity as EP4 receptor modulators ELI LILLY AND COMPANY (US) 2017-10-03 US disclosed
EP-3083562-B1 PHENOXYETHYL CYCLIC AMINE DERIVATIVES AND THEIR ACTIVITY AS EP4 RECEPTOR MODULATORS LILLY CO ELI (US) 2017-09-27 EP disclosed
EP-3083562-A1 PHENOXYETHYL CYCLIC AMINE DERIVATIVES AND THEIR ACTIVITY AS EP4 RECEPTOR MODULATORS Eli Lilly & Company (US) 2016-10-26 EP disclosed
US-20160272585-A1 Phenoxyethyl Cyclic Amine Derivatives and Their Activity as EP4 Receptor Modulators ELI LILLY AND COMPANY (US) 2016-09-22 US disclosed
US-20160272585-A1 Phenoxyethyl Cyclic Amine Derivatives and Their Activity as EP4 Receptor Modulators ELI LILLY AND COMPANY (US) 2016-09-22 US disclosed
CN-105793242-A Phenoxyethyl cyclic amine derivatives and their activity as ep4 receptor modulators 伊莱利利公司 2016-07-20 CN disclosed
US-9309243-B2 Imidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2016-04-12 US disclosed
US-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity UCB Biopharma SPRL a corporation 2015-07-23 US disclosed
WO-2015094902-A1 PHENOXYETHYL CYCLIC AMINE DERIVATIVES AND THEIR ACTIVITY AS EP4 RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2015-06-25 WO disclosed
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
US-20120053350-A1 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS MERCK SHARP & DOHME CORP. 2012-03-01 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 (3 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-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, IL1A HSD17B10 4434/4885SMN1; SMN2 411/4885UCHL1 3879/4885
US-20160272585-A1 Phenoxyethyl Cyclic Amine Derivatives and Their Activity as EP4 Receptor Modulators PTGER4, PTGER1, GPR4 HSD17B10 3686/4885SMN1; SMN2 4442/4885UCHL1 4843/4885
US-20120053350-A1 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS SULT1A1, SULT1E1, PGD HSD17B10 338/4885SMN1; SMN2 3145/4885UCHL1 90/4885

“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.