SCHEMBL16100235

SCHEMBL16100235

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.46
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ENPP2 Q13822 4/20 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 0.35
▸ TSHR P16473 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SCN9A Q15858 1/20 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
SCHEMBL16094402 0.94 TACR1 (0.42) TACR1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL16101985 0.94 ENPP2 (0.43) TACR1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL16129819 0.90 ENPP2 (0.41) TACR1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL16099642 0.89 TACR1 (0.39) TACR1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL16100336 0.89 TACR1 (0.41) TACR1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL16102646 0.88 ENPP2 (0.42) TACR1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL16102274 0.88 TACR1 (0.42) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16129892 0.87 TACR1 (0.39) TACR1ENPP2HTR2AABATSIGMAR1
SCHEMBL16099873 0.87 TACR1 (0.40) TACR1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL16129888 0.87 TACR1 (0.41) 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 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.

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