SCHEMBL13588971

SCHEMBL13588971

O=C(Cc1ccccc1)C1CCC[C@H]1C(=O)Nc1cccc(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.47
▸ MC4R P32245 1/20 0.47
▸ NPC1 O15118 2/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ VCP P55072 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ FAAH O00519 2/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ GRK2 P25098 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CASP8 Q14790 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ APEX1 P27695 1/20 0.40

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
SCHEMBL13588969 0.89 MC4R (0.62) ENPP2MC4RNPC1ABL1RAB9A
SCHEMBL4386492 0.89 MC4R (0.62) ENPP2MC4RNPC1ABL1RAB9A
SCHEMBL13588970 0.81 HCRTR1 (0.55) ENPP2MC4RMAPTFAAHCFD
SCHEMBL4386504 0.74 NPSR1 (0.58) ENPP2LMNAL3MBTL1
SCHEMBL13588851 0.74 NPSR1 (0.58) ENPP2LMNAL3MBTL1
SCHEMBL4386769 0.74 ALDH1A1 (0.51) ENPP2LMNAL3MBTL1F10MGLL
SCHEMBL4389357 0.74 NPSR1 (0.55) ENPP2LMNAL3MBTL1
SCHEMBL13588977 0.73 NPC1 (0.58) NPC1
SCHEMBL13588972 0.72 ENPP2 (0.48) ENPP2LMNAFAAHTRPV1F10
SCHEMBL4385641 0.72 ENPP2 (0.48) ENPP2LMNAFAAHTRPV1F10

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 ENPP2 3704/4885MC4R 3627/4885NPC1 1321/4885

“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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