SCHEMBL4490613

SCHEMBL4490613

[CH](Cc1cc(-c2ccc3[nH]ccc3c2)cs1)CN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ CYP17A1 P05093 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CREBBP Q92793 1/20 0.37
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAP3K11 Q16584 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ PSMB8 P28062 1/20 0.34
▸ PRKDC P78527 1/20 0.34

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
SCHEMBL3703734 0.78 MAP3K11 (0.45) LTA4HNPC1CYP17A1CYP11B1CYP11B2
SCHEMBL3698477 0.76 LTA4H (0.43) LTA4HNPC1PIK3CAPIK3CDPIK3CB
SCHEMBL3703731 0.75 EPHX1 (0.42) LTA4HNPC1CREBBPMAPTHDAC2
SCHEMBL3698474 0.74 TERT (0.42) LTA4HCREBBPPIK3CAPIK3CDPIK3CB
SCHEMBL3703732 0.71 PTGS2 (0.38) NPC1CREBBPPIK3CAPIK3CDPIK3CB
SCHEMBL3698476 0.70 PTGS2 (0.37) NPC1CREBBPPIK3CAPIK3CDPIK3CB
SCHEMBL3695681 0.69 ROCK2 (0.40) LTA4HCYP17A1CYP11B1CYP11B2MAP3K11
SCHEMBL13604767 0.69 ROCK1 (0.38) LTA4HNPC1MAPT
SCHEMBL4486619 0.69 LTA4H (0.45) LTA4HNPC1CYP17A1CYP11B1CYP11B2
SCHEMBL6731153 0.68 CTNNB1 (0.41) LTA4HPIK3CAPIK3CDPIK3CBPIK3CG

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 694/4885NPC1 1328/4885CYP17A1 652/4885

“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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