SCHEMBL9003564

SCHEMBL9003564

CC1(C)CCN(C(=O)OC(C)(C)C)C(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
HSD11B1 P28845 2/20 0.38
EPHX2 P34913 1/20 0.36
NPC1 O15118 1/20 0.36
NR1H2 P55055 3/20 0.35
RXRA P19793 2/20 0.35
NR1H3 Q13133 2/20 0.35
USP2 O75604 1/20 0.35
KDM1A O60341 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL30396554 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1
SCHEMBL21649014 0.87 HSD17B10 (0.48) HSD17B10SMN1; SMN2HSD11B1NPC1LMNA
SCHEMBL8255174 0.85 NR1H2 (0.42) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1
SCHEMBL934024 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1
SCHEMBL14488388 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1
SCHEMBL16824583 0.85 HSD17B10 (0.46) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1
SCHEMBL2905429 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2EPHX2USP2
SCHEMBL2905427 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2EPHX2USP2
SCHEMBL16584822 0.84 HSD17B10 (0.42) HSD17B10SMN1; SMN2EPHX2USP2
SCHEMBL2126924 0.84 HSD17B10 (0.45) HSD17B10SMN1; SMN2HSD11B1EPHX2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022076383-A1 SULFONANILIDE AND BENZYLSULFONYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Lysoway Therapeutics, Inc. (US) 2022-04-14 WO 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-9181279-B2 Cyclic amine derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2015-11-10 US disclosed
EP-2729445-B1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-10-21 EP 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
US-20150087626-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2015-03-26 US disclosed
EP-2729445-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2014-05-14 EP disclosed
CN-103702980-A Cyclic amine derivatives as EP4Receptor antagonists ROTTAPHARM SPA 2014-04-02 CN disclosed
WO-2013004290-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2013-01-10 WO disclosed
US-5521175-A CHOLECYSTOKININS AND GASTRIN ANTAGONIST FOR PHYSIOLOGICAL DISORDERS MERCK SHARP & DOHME LTD. (GB) 1996-05-28 US disclosed
EP-0652873-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-05-17 EP disclosed
WO-1994003447-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-17 WO 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-20160272585-A1 Phenoxyethyl Cyclic Amine Derivatives and Their Activity as EP4 Receptor Modulators PTGER4, PTGER1, GPR4 HSD17B10 3686/4885SMN1; SMN2 4442/4885HSD11B1 1374/4885
US-20150087626-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER3 HSD17B10 4150/4885SMN1; SMN2 4790/4885HSD11B1 4308/4885

“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.