SCHEMBL16100456

SCHEMBL16100456

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CCR2 P41597 2/20 0.36
▸ ITK Q08881 1/20 0.36
▸ P2RX7 Q99572 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CHRNA7 P36544 2/20 0.34
▸ RORC P51449 1/20 0.34
▸ MTTP P55157 2/20 0.33
▸ EPHX2 P34913 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
SCHEMBL16099331 0.96 HRH3 (0.39) HRH3KCNH2CCR2ITKP2RX7
SCHEMBL16099134 0.92 KDM4E (0.42) HRH3CCR2P2RX7TSHR
SCHEMBL16102807 0.90 KMT2A (0.39) HRH3NPSR1EPHX2
SCHEMBL16099965 0.88 KDM4E (0.43) HRH3CCR2P2RX7TSHR
SCHEMBL16100488 0.87 ALDH1A1 (0.35) HRH3ALDH1A1TSHRNPSR1
SCHEMBL16100450 0.86 ENPP2 (0.37) HRH3
SCHEMBL16099089 0.85 GRIN2B (0.37) HRH3KCNH2NPSR1EPHX2
SCHEMBL16099800 0.85 EPHX2 (0.41) HRH3NPSR1EPHX2
SCHEMBL16100285 0.84 F2 (0.40) HRH3P2RX7EPHX2
SCHEMBL16102917 0.84 GRM5 (0.34) HRH3KCNH2P2RX7ALDH1A1TSHR

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-2014152604-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 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-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 HRH3 835/4885KCNH2 2017/4885CCR2 2773/4885

“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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