SCHEMBL18084464

SCHEMBL18084464

COC(=O)[C@H]1CC2CC2CN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
MMP2 P08253 2/20 0.42
ANPEP P15144 2/20 0.42
NR1H3 Q13133 1/20 0.41
PTPN1 P18031 1/20 0.40
CYP3A4 P08684 5/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX3 P56373 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PDE4B Q07343 1/20 0.35
HTRA1 Q92743 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCR2 P41597 1/20 0.33

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
SCHEMBL30396157 0.93 CYP3A4 (0.43) NR1H2MMP2ANPEPNR1H3PTPN1
SCHEMBL29523552 0.90 ALDH1A1 (0.42) NR1H2MMP2ANPEPNR1H3PTPN1
SCHEMBL30181036 0.90 NR1H2 (0.40) NR1H2MMP2ANPEPNR1H3PTPN1
SCHEMBL30392400 0.89 ALDH1A1 (0.44) NR1H2MMP2ANPEPNR1H3PTPN1
SCHEMBL26567723 0.89 ALDH1A1 (0.44) NR1H2MMP2ANPEPNR1H3PTPN1
SCHEMBL30571945 0.89 ALDH1A1 (0.44) NR1H2MMP2ANPEPNR1H3PTPN1
SCHEMBL6184237 0.87 ALDH1A1 (0.42) NR1H2MMP2ANPEPNR1H3PTPN1
SCHEMBL7629700 0.87 ALDH1A1 (0.42) NR1H2MMP2ANPEPNR1H3PTPN1
SCHEMBL14343500 0.84 NR1H2 (0.45) NR1H2CYP3A4CYP1A2POLBCYP2C19
SCHEMBL14343315 0.84 NR1H2 (0.45) NR1H2CYP3A4CYP1A2POLBCYP2C19

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 2 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
US-20160272585-A1 Phenoxyethyl Cyclic Amine Derivatives and Their Activity as EP4 Receptor Modulators ELI LILLY AND COMPANY (US) 2016-09-22 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-20160272585-A1 Phenoxyethyl Cyclic Amine Derivatives and Their Activity as EP4 Receptor Modulators PTGER4, PTGER1, GPR4 NR1H2 225/4885MMP2 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.