SCHEMBL3701385

SCHEMBL3701385

CN1CCCC(N(Cc2cc(-c3ccc4[nH]ncc4c3)ccc2F)C(=O)c2ccc(F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 5/20 0.44
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ ROCK2 O75116 7/20 0.40
▸ ROCK1 Q13464 5/20 0.40
▸ CCR2 P41597 2/20 0.40
▸ CCR3 P51677 2/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ CSNK1G1 Q9HCP0 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38

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
SCHEMBL27713846 1.00 GRIN2B (0.44) GRIN2BCTNNB1WNT3AROCK2ROCK1
Trifluoroacetic Acid SCHEMBL3693841 0.95 GRIN2B (0.41) GRIN2BCTNNB1WNT3AROCK2ROCK1
SCHEMBL13604792 0.95 GRIN2B (0.46) GRIN2BCTNNB1WNT3AROCK2ROCK1
SCHEMBL13611679 0.95 GRIN2B (0.46) GRIN2BCTNNB1WNT3AROCK2ROCK1
Trifluoroacetic Acid SCHEMBL3700540 0.91 GRIN2B (0.42) GRIN2BCTNNB1WNT3AROCK2ROCK1
Trifluoroacetic Acid SCHEMBL3697501 0.91 GRIN2B (0.42) GRIN2BCTNNB1WNT3AROCK2ROCK1
Trifluoroacetic Acid SCHEMBL3700536 0.91 GRIN2B (0.42) GRIN2BCTNNB1WNT3AROCK2ROCK1
SCHEMBL3693003 0.90 GRIN2B (0.45) GRIN2BCTNNB1WNT3AROCK2ROCK1
SCHEMBL3696464 0.88 MCHR1 (0.45) GRIN2BCHRM5MAPK14
SCHEMBL3696469 0.88 MCHR1 (0.45) GRIN2BCHRM5MAPK14

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 20 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
CN-101115717-A Substituted bis aryl and heteroaryl compounds as selective 5ht2a antagonists AVENTIS PHARMA INC (US) 2008-01-30 — — CN 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
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-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US 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
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
CN-101115717-A Substituted bis aryl and heteroaryl compounds as selective 5ht2a antagonists AVENTIS PHARMA INC (US) 2008-01-30 — — CN disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US 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 GRIN2B 130/4885CTNNB1 2969/4885WNT3A 3433/4885
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C GRIN2B 61/4885CTNNB1 2163/4885WNT3A 1986/4885

“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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