SCHEMBL3702755

SCHEMBL3702755

NC(=O)CC(Cc1cccc(-c2ccc3[nH]ccc3c2)c1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ ST14 Q9Y5Y6 1/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ PRKACA P17612 3/20 0.39
▸ PRKACG P22612 3/20 0.39
▸ PRKACB P22694 3/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ CTSK P43235 3/20 0.38
▸ CTSS P25774 1/20 0.38
▸ FASN P49327 1/20 0.37

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
SCHEMBL3695653 0.84 AR (0.37) F2F10PLGPLAUST14
SCHEMBL3696975 0.82 PTGS2 (0.37) F2F10PLGPLAUST14
SCHEMBL3698476 0.82 PTGS2 (0.37) ENPP2NPC1PTGS2EPHX1CYP2D6
SCHEMBL3703732 0.71 PTGS2 (0.38) ENPP2NPC1PTGS2EPHX1CYP2D6
SCHEMBL13802499 0.70 GRIN2D (0.60) ENPP2NPC1IKBKBCHUKPTGS2
SCHEMBL3700422 0.69 PTGS2 (0.38) F2F10PLGPLAUST14
SCHEMBL3702754 0.69 TERT (0.48) ENPP2NPC1EPHX1CYP2D6EPHX2
SCHEMBL28253380 0.69 NPC1 (0.62) ENPP2NPC1IKBKBCHUKADORA2A
SCHEMBL982808 0.68 CCNT1 (0.62) F2ENPP2NPC1IKBKBCHUK
SCHEMBL3702756 0.67 MAP4K4 (0.45) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP claimed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US claimed
EP-1851199-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-11-07 — — EP claimed
WO-2006086705-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-17 — — WO claimed
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-7618650-B2 Combination of a hypnotic agent and substituted bis aryl and heteroaryl compound and therapeutic application thereof AVENTIS PHARMACEUTICALS INC (US) 2009-11-17 — — US disclosed
EP-1928442-B1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA INC (US) 2009-11-04 — — EP disclosed
US-20080138413-A1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 — — US disclosed
EP-1928442-A2 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF Aventis Pharmaceuticals Inc. (US) 2008-06-11 — — EP disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
EP-1851199-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-11-07 — — EP disclosed
WO-2007024600-A2 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — WO disclosed
WO-2006086705-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-17 — — 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-20080138413-A1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF HCRTR1, HCRTR2, MTNR1B F2 1239/4885F10 1433/4885PLG 4539/4885
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C F2 2243/4885F10 3344/4885PLG 4568/4885

“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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