SCHEMBL16100488

SCHEMBL16100488

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCCN(C(=O)NCc1cc(F)cc(F)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL16101306 0.96 HRH3 (0.36) ALDH1A1TSHRKMT2AMEN1HRH3
SCHEMBL16102917 0.94 GRM5 (0.34) ALDH1A1TSHRKMT2AMEN1HRH3
SCHEMBL16102856 0.90 GRM5 (0.38) ALDH1A1TSHRKMT2AMEN1HRH3
SCHEMBL16099089 0.90 GRIN2B (0.37) KMT2AMEN1HRH3NPSR1MAPK1
SCHEMBL16102807 0.88 KMT2A (0.39) KMT2AHRH3NPSR1MAPK1
SCHEMBL16100456 0.87 HRH3 (0.39) ALDH1A1TSHRHRH3NPSR1
SCHEMBL16100664 0.86 EPHX2 (0.38) KMT2AMEN1HRH3NPSR1GRM5
SCHEMBL16100285 0.85 F2 (0.40) HRH3MAPK1
SCHEMBL16099134 0.85 KDM4E (0.42) TSHRKMT2AMEN1HRH3
SCHEMBL16099800 0.83 EPHX2 (0.41) KMT2AHRH3NPSR1MAPK1

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 7 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
US-20150125422-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-05-07 — — US 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 (2 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-20150125422-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 ALDH1A1 421/4885TSHR 4649/4885KMT2A 4612/4885
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 ALDH1A1 4063/4885TSHR 136/4885KMT2A 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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