SCHEMBL13604952

SCHEMBL13604952

CN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)c2cnccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.43
▸ FASN P49327 1/20 0.41
▸ DYRK1A Q13627 3/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ MAP3K11 Q16584 1/20 0.38
▸ HTR2A P28223 6/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ MELK Q14680 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
▸ BCR P11274 1/20 0.36
▸ PIK3CD O00329 1/20 0.36

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
SCHEMBL27711112 0.92 NPSR1 (0.46) NPSR1FASNDYRK1AGSK3BMAP3K11
SCHEMBL13604953 0.89 KDM4E (0.48) NPSR1FASNDYRK1AGSK3BMAP3K11
SCHEMBL3693110 0.89 DYRK1A (0.44) FASNDYRK1AGSK3BMAP3K11HTR2A
SCHEMBL6729935 0.89 FASN (0.40) FASNDYRK1AMAP3K11HTR2AABL1
SCHEMBL3692104 0.88 TP53 (0.45) FASNDYRK1AMAP3K11HTR2ACSNK1D
SCHEMBL6730692 0.88 FASN (0.42) FASNDYRK1AHTR2AABL1MELK
SCHEMBL27711121 0.87 DYRK1A (0.42) NPSR1DYRK1AGSK3BMAP3K11CSNK1D
SCHEMBL3703964 0.87 HTR2A (0.40) FASNDYRK1AGSK3BHTR2AMELK
SCHEMBL6730634 0.86 FASN (0.42) FASNDYRK1AGSK3BMAP3K11HTR2A
SCHEMBL13604862 0.85 FASN (0.40) NPSR1FASNDYRK1AMAP3K11HTR2A

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
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
CN-101242819-A Hypnotics and combinations of substituted biaryl and heteroaryl compounds and therapeutic uses thereof AVENTIS PHARMA INC (US) 2008-08-13 — — CN 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 NPSR1 36/4885FASN 1837/4885DYRK1A 773/4885

“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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