SCHEMBL16100066

SCHEMBL16100066

CCOC(=O)c1cc2n(n1)CCCN(C(=O)OC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.38
▸ CETP P11597 10/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL16094523 0.88 TACR1 (0.40) TACR1
SCHEMBL16094402 0.84 TACR1 (0.42) TACR1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL16094151 0.83 TACR1 (0.38) TACR1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL16129819 0.80 ENPP2 (0.41) TACR1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL16100257 0.80 HRH3 (0.36) TACR1CETPKMT2AMEN1SMN1; SMN2
SCHEMBL16129709 0.80 HPGD (0.39) KMT2AMEN1HPGDSMN1; SMN2NPC1
SCHEMBL16099642 0.80 TACR1 (0.39) TACR1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL16093927 0.79 ALDH1A1 (0.38) TACR1KMT2AHPGDNPC1
SCHEMBL16099794 0.79 BTK (0.35) TACR1KMT2ARAB9A
SCHEMBL16102646 0.79 ENPP2 (0.42) TACR1KMT2AMEN1HPGDSMN1; SMN2

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 8 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
EP-2970267-A1 P2X7 MODULATORS Janssen Pharmaceutica, N.V. (BE) 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
WO-2014152604-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 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 662/4885CETP 956/4885KMT2A 2542/4885

“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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