SCHEMBL16093617

SCHEMBL16093617

O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCn2nc(CO)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ABAT P80404 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ TACR1 P25103 6/20 0.37
▸ ATXN2 Q99700 2/20 0.36
▸ GRM5 P41594 7/20 0.36
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 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
SCHEMBL16099824 0.93 ENPP2 (0.44) ENPP2ATXN2GRM5
SCHEMBL16100566 0.91 ENPP2 (0.37) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16094158 0.91 ENPP2 (0.37) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16101223 0.90 TACR1 (0.38) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16103123 0.90 TACR1 (0.38) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16099901 0.87 TACR1 (0.37) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16100527 0.87 TACR1 (0.41) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16102491 0.87 ENPP2 (0.38) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16099558 0.87 TACR1 (0.41) ENPP2HTR2AABATSIGMAR1TACR1
SCHEMBL16099705 0.87 ENPP2 (0.38) ENPP2HTR2AABATSIGMAR1TACR1

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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — 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 (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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 ENPP2 1/4885HTR2A 217/4885ABAT 3879/4885

“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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