SCHEMBL4486619

SCHEMBL4486619

[CH](CCN1CCCC1)Cc1cc(-c2ccc3[nH]ccc3c2)co1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.45
▸ MAP3K11 Q16584 1/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ ABCB1 P08183 1/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ GUSB P08236 1/20 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
SCHEMBL3700423 0.80 MAP3K11 (0.45) LTA4HMAP3K11NPC1ABCB1CYP17A1
SCHEMBL3696976 0.79 LTA4H (0.43) LTA4HMAP3K11NPC1ABCB1DRD2
SCHEMBL3696974 0.77 TERT (0.43) LTA4HMAP3K11NPC1CREBBPFPR3
SCHEMBL3700421 0.77 EPHX1 (0.41) LTA4HMAP3K11NPC1CREBBPFPR3
SCHEMBL4495191 0.74 LTA4H (0.43) LTA4HMAP3K11NPC1ABCB1CYP17A1
SCHEMBL3697419 0.71 ROCK2 (0.39) LTA4HMAP3K11CYP17A1CYP11B1CYP11B2
SCHEMBL3693382 0.71 NPC1 (0.38) LTA4HNPC1
SCHEMBL3698149 0.70 CYP17A1 (0.37) LTA4HMAP3K11CYP17A1CYP11B1CYP11B2
SCHEMBL3700422 0.69 PTGS2 (0.38) LTA4HNPC1CREBBPCA12CA1
SCHEMBL13604944 0.69 CTNNB1 (0.40) LTA4HMAP3K11DRD2DRD3DRD4

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 2 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-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 LTA4H 694/4885MAP3K11 4472/4885NPC1 1328/4885

“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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