SCHEMBL3698899

SCHEMBL3698899

CC(=O)Oc1c[nH]c2ccc(-c3ccc(F)c(C(c4ccc(F)cc4)N4CCNCC4)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ P4HB P07237 3/20 0.35
▸ OPRM1 P35372 4/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ OPRK1 P41145 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ICMT O60725 1/20 0.33
▸ CYP19A1 P11511 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
SCHEMBL3698443 0.85 OPRD1 (0.38) OPRD1SLC22A6P4HBOPRM1TDO2
SCHEMBL27713732 0.81 TSHR (0.50) OPRD1P4HBOPRM1TDO2SLC6A4
SCHEMBL27693921 0.79 TDO2 (0.39) OPRD1P4HBTDO2SLC6A2SLC6A4
SCHEMBL3694945 0.79 TDO2 (0.39) OPRD1P4HBTDO2SLC6A2SLC6A4
Acetic Acid SCHEMBL3698896 0.78 PTGS2 (0.45) OPRD1P4HBOPRM1OPRK1CHEK2
SCHEMBL3700478 0.77 DYRK1A (0.36) SLC22A6TDO2
SCHEMBL3693597 0.74 PIM1 (0.37) SLC22A6TDO2
SCHEMBL3694550 0.74 MPO (0.39) P4HBTDO2SLC6A2SLC6A4CYP2D6
SCHEMBL3702381 0.72 P4HB (0.39) OPRD1P4HBOPRM1OPRK1CYP2D6
SCHEMBL3698108 0.71 ACHE (0.38) P4HBTDO2SLC6A4KCNH2

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 7 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
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
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US 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 OPRD1 8/4885SLC22A6 2079/4885P4HB 3316/4885
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C OPRD1 48/4885SLC22A6 596/4885P4HB 4494/4885

“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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