SCHEMBL18893127

SCHEMBL18893127

CCC(C)NCc1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.44
▸ PPARG P37231 6/20 0.44
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ SCN8A Q9UQD0 1/20 0.42
▸ MRGPRX1 Q96LB2 1/20 0.40

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
SCHEMBL30482017 0.84 EPHX2 (0.46) EPHX2PPARGPOLBIDO1SCN8A
SCHEMBL800327 0.84 EPHX2 (0.46) EPHX2PPARGPOLBIDO1SCN8A
SCHEMBL25938010 0.80 SLC6A2 (0.42) EPHX2PPARGIDO1
SCHEMBL13865872 0.79 HDAC4 (0.49) EPHX2PPARGMRGPRX1
SCHEMBL30412531 0.77 SIGMAR1 (0.51) EPHX2PPARGPOLBMAPK1IDO1
SCHEMBL10379774 0.77 SIGMAR1 (0.51) EPHX2PPARGPOLBMAPK1IDO1
SCHEMBL12153073 0.75 SCN8A (0.52) EPHX2PPARGPOLBIDO1SCN8A
SCHEMBL12153198 0.75 SCN8A (0.49) EPHX2PPARGIDO1SCN8A
SCHEMBL514804 0.74 IDO1 (0.50) EPHX2PPARGPOLBIDO1SCN8A
SCHEMBL28170854 0.74 SCN8A (0.52) EPHX2PPARGPOLBIDO1SCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 — — 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-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 EPHX2 3496/4885PPARG 740/4885POLB 4687/4885

“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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