SCHEMBL16094402

SCHEMBL16094402

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.42
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ ENPP2 Q13822 4/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ ABAT P80404 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RHOA P61586 1/20 0.35
▸ ATXN2 Q99700 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ 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
SCHEMBL16129819 0.95 ENPP2 (0.41) TACR1KMT2AMEN1NPC1RAB9A
SCHEMBL16099642 0.95 TACR1 (0.39) TACR1KMT2AMEN1NPC1RAB9A
SCHEMBL16100235 0.94 TACR1 (0.46) TACR1KMT2AMEN1NPC1RAB9A
SCHEMBL16102646 0.94 ENPP2 (0.42) TACR1KMT2AMEN1NPC1RAB9A
SCHEMBL16094151 0.91 TACR1 (0.38) TACR1KMT2AMEN1NPC1RAB9A
SCHEMBL16099497 0.89 TACR1 (0.39) TACR1HPGDALDH1A1ENPP2HTR2A
SCHEMBL16099623 0.88 TACR1 (0.39) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16101985 0.88 ENPP2 (0.43) TACR1KMT2AMEN1NPC1RAB9A
SCHEMBL16099381 0.87 TACR1 (0.38) TACR1ALDH1A1ENPP2HTR2AABAT
SCHEMBL16099637 0.87 ENPP2 (0.39) TACR1KMT2AMEN1ALDH1A1ENPP2

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 662/4885KMT2A 2542/4885MEN1 687/4885

“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.

Send feedback