SCHEMBL16099381

SCHEMBL16099381

NC(=O)c1cc2n(n1)CCCN(C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 12/20 0.38
▸ ENPP2 Q13822 5/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ATXN2 Q99700 2/20 0.36
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL16129892 0.94 TACR1 (0.39) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16099623 0.91 TACR1 (0.39) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16100130 0.91 TACR1 (0.36) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16129740 0.91 TACR1 (0.36) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16100131 0.91 TACR1 (0.36) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16099637 0.90 ENPP2 (0.39) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16099497 0.90 TACR1 (0.39) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16129760 0.88 TACR1 (0.38) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16099705 0.88 ENPP2 (0.38) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16094402 0.87 TACR1 (0.42) TACR1ENPP2HTR2AABATSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
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 TACR1 662/4885ENPP2 1/4885HTR2A 217/4885

“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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