SCHEMBL6730634

SCHEMBL6730634

CN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)c2ccnnc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 2/20 0.42
▸ MAP3K11 Q16584 1/20 0.38
▸ ACACB O00763 4/20 0.37
▸ ACACA Q13085 4/20 0.37
▸ HTR2A P28223 6/20 0.36
▸ BRAF P15056 1/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ MELK Q14680 1/20 0.36
▸ 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 0.91 TP53 (0.45) FASNMAP3K11ACACBACACAHTR2A
SCHEMBL3693110 0.89 DYRK1A (0.44) FASNMAP3K11HTR2ATP53NCOA1
SCHEMBL3701259 0.87 FASN (0.42) FASNHTR2A
SCHEMBL6730692 0.86 FASN (0.42) FASNHTR2ADYRK1AMELKABL1
SCHEMBL3700861 0.86 FASN (0.42) FASNMAP3K11HTR2A
SCHEMBL3701044 0.86 HTR2A (0.42) FASNHTR2A
SCHEMBL13604952 0.86 NPSR1 (0.43) FASNMAP3K11HTR2ADYRK1AGSK3B
SCHEMBL13604862 0.86 FASN (0.40) FASNMAP3K11HTR2ADYRK1AABL1
SCHEMBL13604953 0.85 KDM4E (0.48) FASNMAP3K11HTR2ATP53NCOA1
SCHEMBL3698083 0.85 HTR2A (0.42) FASNACACBACACAHTR2ABRAF

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 1837/4885MAP3K11 4472/4885ACACB 3573/4885

“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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