SCHEMBL19087988

SCHEMBL19087988

CCOC(=O)/C=C\c1ccc(C(F)(F)F)cc1N1CCC(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.44
▸ LGMN Q99538 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL19088116 0.89 ENPP2 (0.44) ENPP2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17305317 0.89 ENPP2 (0.44) ENPP2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19078487 0.87 NOTUM (0.42) ENPP2MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL19088117 0.87 NOTUM (0.42) ENPP2MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL19078474 0.87 ENPP2 (0.42) ENPP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL19078423 0.86 MAPT (0.43) ENPP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL17305241 0.85 ENPP2 (0.48) ENPP2ALDH1A1KDM4ENPSR1MAPT
SCHEMBL19078390 0.85 MAPT (0.42) ENPP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL19088118 0.84 KDM4E (0.43) ENPP2LGMNALDH1A1MEN1KMT2A
SCHEMBL17305174 0.83 LMNA (0.44) ENPP2ALDH1A1MEN1KMT2AMAPT

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-9981960-B2 Pyrrolidine compound and application as melanocortin receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-29 — — US disclosed
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-07-06 — — 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-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MC1R, MC5R, MC3R ENPP2 2153/4885LGMN 4634/4885ALDH1A1 1837/4885

“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.

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