SCHEMBL18065005

SCHEMBL18065005

COC(=O)[C@H]1C[C@@H](O)CN1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MMP2 P08253 3/20 0.44
ANPEP P15144 3/20 0.44
CYP3A4 P08684 14/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 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
SCHEMBL13008562 1.00 ALDH1A1 (0.47) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL12604254 0.83 MMP2 (0.42) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL22541603 0.81 PEPD (0.43) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL15961007 0.81 MMP2 (0.39) ALDH1A1MMP2ANPEPCYP3A4MAPT
SCHEMBL24004323 0.79 ATM (0.53) ALDH1A1ATMPOLB
SCHEMBL2033864 0.79 ATM (0.53) ALDH1A1ATMPOLB
SCHEMBL15905731 0.79 ATM (0.53) ALDH1A1ATMPOLB
SCHEMBL5021550 0.79 ATM (0.53) ALDH1A1ATMPOLB
SCHEMBL7892261 0.78 ATM (0.39) ATM
SCHEMBL20705058 0.78 ATM (0.39) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20160272585-A1 Phenoxyethyl Cyclic Amine Derivatives and Their Activity as EP4 Receptor Modulators PTGER4, PTGER1, GPR4 ALDH1A1 2191/4885MMP2 2421/4885ANPEP 1962/4885

“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.