SCHEMBL6729935

SCHEMBL6729935

CN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)c2ccncn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.40
▸ HTR2A P28223 11/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CSNK1D P48730 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ MAP3K11 Q16584 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MELK Q14680 1/20 0.35
▸ ABL1 P00519 1/20 0.35

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
SCHEMBL3692104 0.90 TP53 (0.45) FASNHTR2ACSNK1DMAPK11MAPK14
SCHEMBL13604953 0.89 KDM4E (0.48) FASNHTR2APIK3CDKDM4EOPRK1
SCHEMBL13604952 0.89 NPSR1 (0.43) FASNHTR2APIK3CDKDM4EOPRK1
SCHEMBL6730692 0.88 FASN (0.42) FASNHTR2APIK3CDKDM4EOPRK1
SCHEMBL3695386 0.87 HTR2A (0.40) FASNHTR2APIK3CD
SCHEMBL13604862 0.85 FASN (0.40) FASNHTR2AKDM4EOPRK1HSD17B10
SCHEMBL3693110 0.85 DYRK1A (0.44) FASNHTR2AKDM4EMAP3K11TP53
SCHEMBL3701259 0.85 FASN (0.42) FASNHTR2A
SCHEMBL6730634 0.85 FASN (0.42) FASNHTR2AMAP3K11TP53NCOA1
SCHEMBL3700861 0.84 FASN (0.42) FASNHTR2AMAP3K11

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 5 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 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-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 FASN 1837/4885HTR2A 1/4885PIK3CD 4011/4885

“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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