SCHEMBL3694945

SCHEMBL3694945

N#Cc1c[nH]c2ccc(-c3ccc(F)c(C(c4ccc(F)cc4)N4CCNCC4)c3)cc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ P4HB P07237 3/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SLC6A4 P31645 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ PIM3 Q86V86 2/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ MGLL Q99685 1/20 0.32

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
SCHEMBL27693921 1.00 TDO2 (0.39) TDO2OPRD1ACHEP4HBCYP2D6
SCHEMBL3698108 0.90 ACHE (0.38) TDO2ACHEP4HBDRD2DRD4
SCHEMBL27693859 0.90 ACHE (0.38) TDO2ACHEP4HBDRD2DRD4
SCHEMBL27713732 0.80 TSHR (0.50) TDO2OPRD1P4HBSLC6A4
SCHEMBL3698899 0.79 OPRD1 (0.38) TDO2OPRD1P4HBCYP2D6CYP19A1
SCHEMBL3694550 0.75 MPO (0.39) TDO2ACHEP4HBCYP2D6DRD3
Acetic Acid SCHEMBL3698896 0.74 PTGS2 (0.45) OPRD1P4HBCYP19A1
SCHEMBL3692993 0.74 P4HB (0.45) P4HB
SCHEMBL3697509 0.74 P4HB (0.40) OPRD1ACHEP4HBCYP2D6CYP19A1
SCHEMBL3696398 0.72 OPRD1 (0.35) OPRD1

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 12 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-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 TDO2 390/4885OPRD1 8/4885ACHE 1277/4885
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C TDO2 139/4885OPRD1 48/4885ACHE 2868/4885

“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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