SCHEMBL13604783

SCHEMBL13604783

N#Cc1c[nH]c2ccc(-c3ccc(F)c(CN4CCNC[C@@H]4c4ccc(F)cc4)c3)cc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 10/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ TDO2 P48775 1/20 0.35
▸ SLC6A2 P23975 3/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ KCNH2 Q12809 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ NR3C2 P08235 2/20 0.33

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
SCHEMBL6730369 0.88 SLC6A4 (0.44) SLC6A4DRD2DRD4DRD3SLC6A2
SCHEMBL13604964 0.86 MAPK1 (0.43) SLC6A4DRD2DRD4DRD3SLC6A2
SCHEMBL13604963 0.81 TNIK (0.39) SLC6A4SLC6A2SLC6A3KCNH2DPP4
SCHEMBL6730155 0.76 CYP2D6 (0.47) SLC6A4SLC6A2SLC6A3
SCHEMBL13604775 0.76 DPP4 (0.35) SLC6A4SLC6A2SLC6A3DPP4DPP7
SCHEMBL3692987 0.76 CYP2D6 (0.47) SLC6A4SLC6A2SLC6A3
SCHEMBL13604957 0.73 MAPK1 (0.45) SLC6A4
SCHEMBL3694945 0.70 TDO2 (0.39) SLC6A4DRD2DRD4DRD3TDO2
SCHEMBL27693921 0.70 TDO2 (0.39) SLC6A4DRD2DRD4DRD3TDO2
SCHEMBL4490599 0.67 SLC6A4 (0.45) SLC6A4SLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C SLC6A4 50/4885DRD2 22/4885DRD4 59/4885

“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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