SCHEMBL16099331

SCHEMBL16099331

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CCR2 P41597 2/20 0.36
▸ P2RX7 Q99572 3/20 0.36
▸ ITK Q08881 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TEAD1 P28347 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ MTTP P55157 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
SCHEMBL16100456 0.96 HRH3 (0.39) HRH3KCNH2CCR2P2RX7ITK
SCHEMBL16099965 0.92 KDM4E (0.43) HRH3CCR2P2RX7TSHRTEAD1
SCHEMBL16099800 0.90 EPHX2 (0.41) HRH3NPSR1MAPK1KMT2A
SCHEMBL16099134 0.88 KDM4E (0.42) HRH3CCR2P2RX7TSHRTEAD1
SCHEMBL16101306 0.87 HRH3 (0.36) HRH3KCNH2ALDH1A1TSHRNPSR1
SCHEMBL16099132 0.86 ENPP2 (0.38) HRH3GRM5
SCHEMBL16102807 0.85 KMT2A (0.39) HRH3NPSR1MAPK1KMT2A
SCHEMBL16100664 0.85 EPHX2 (0.38) HRH3KCNH2NPSR1F2PRSS1
SCHEMBL16100455 0.85 F2 (0.41) HRH3F2MAPK1
SCHEMBL16102856 0.83 GRM5 (0.38) 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 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 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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