SCHEMBL16093927

SCHEMBL16093927

CCOC(=O)c1cc2n(n1)CCCN(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ P2RY12 Q9H244 9/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TACR1 P25103 3/20 0.35

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
SCHEMBL16129778 0.87 TACR1 (0.38) NPC1TACR1
SCHEMBL16094402 0.85 TACR1 (0.42) ALDH1A1HPGDCYP2D6NPC1KMT2A
SCHEMBL16100257 0.84 HRH3 (0.36) ALDH1A1CYP3A4CYP2D6KMT2ATACR1
SCHEMBL16094151 0.84 TACR1 (0.38) ALDH1A1HPGDKDM4ECYP2D6NPC1
SCHEMBL16099794 0.82 BTK (0.35) ALDH1A1KDM4EKMT2ATACR1
SCHEMBL16129819 0.81 ENPP2 (0.41) ALDH1A1HPGDNPC1KMT2ATACR1
SCHEMBL16129709 0.81 HPGD (0.39) ALDH1A1HPGDKDM4ENPC1KMT2A
SCHEMBL16099642 0.80 TACR1 (0.39) ALDH1A1HPGDNPC1KMT2ATACR1
SCHEMBL16102646 0.80 ENPP2 (0.42) ALDH1A1HPGDNPC1KMT2ATACR1
SCHEMBL16100235 0.79 TACR1 (0.46) ALDH1A1HPGDCYP2D6NPC1KMT2A

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 3 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

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 ALDH1A1 4063/4885HPGD 3262/4885KDM4E 3129/4885

“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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