SCHEMBL13588969

SCHEMBL13588969

O=C(NCc1ccccc1)C1CCC[C@H]1C(=O)Nc1cccc(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.62
▸ EPHX1 P07099 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ SCN9A Q15858 2/20 0.45
▸ F2 P00734 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ PRKCG P05129 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ FES P07332 1/20 0.43
▸ RET P07949 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ FER P16591 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43

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
SCHEMBL4386492 1.00 MC4R (0.62) MC4REPHX1CYP2D6EPHX2SCN9A
SCHEMBL13588971 0.89 ENPP2 (0.47) MC4REPHX1NPC1ENPP2VCP
SCHEMBL13588977 0.82 NPC1 (0.58) NPC1USP2ALDH1A1
SCHEMBL13588970 0.77 HCRTR1 (0.55) MC4RENPP2USP2ALDH1A1MAPT
SCHEMBL4386504 0.74 NPSR1 (0.58) ENPP2ALDH1A1LMNA
SCHEMBL13588851 0.74 NPSR1 (0.58) ENPP2ALDH1A1LMNA
SCHEMBL4386769 0.74 ALDH1A1 (0.51) ENPP2ALDH1A1LMNA
SCHEMBL4389357 0.74 NPSR1 (0.55) ENPP2ALDH1A1LMNA
SCHEMBL13588972 0.72 ENPP2 (0.48) ENPP2ALDH1A1LMNA
SCHEMBL4385641 0.72 ENPP2 (0.48) ENPP2ALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 — — US disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 — — US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 — — 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-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L MC4R 3627/4885EPHX1 2760/4885CYP2D6 870/4885

“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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