SCHEMBL4495191

SCHEMBL4495191

Fc1ccc(C[CH]CCN2CCCC2)cc1-c1ccc2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.43
▸ MAP3K11 Q16584 6/20 0.42
▸ GUSB P08236 1/20 0.39
▸ TNIK Q9UKE5 2/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ SGK1 O00141 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ INSR P06213 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ MET P08581 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ FLT1 P17948 1/20 0.38

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
SCHEMBL3695656 0.80 MAP3K11 (0.44) LTA4HMAP3K11GUSBTNIKCDK1
SCHEMBL3695651 0.77 CACNA1G (0.42) LTA4HMAP3K11MAPK1
SCHEMBL4486619 0.74 LTA4H (0.45) LTA4HMAP3K11GUSBABCB1CYP17A1
SCHEMBL3700740 0.74 ROCK1 (0.40) LTA4HMAP3K11TNIKROCK2ROCK1
SCHEMBL3695104 0.73 ROCK2 (0.40) LTA4HMAP3K11TNIKCDK1SGK1
SCHEMBL3698457 0.71 MCHR1 (0.39) LTA4HMAP3K11ROCK2CYP3A4KCNH2
SCHEMBL3694397 0.71 CYP17A1 (0.38) MAP3K11TNIKCDK1SGK1IKBKB
SCHEMBL3705456 0.70 SLC6A4 (0.40) LTA4HROCK2ABL1KCNH2ROCK1
SCHEMBL3695653 0.69 AR (0.37) MAP3K11GUSBTNIK
SCHEMBL6730751 0.69 OPRK1 (0.39) LTA4HMAP3K11TNIKCDK1SGK1

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 4472/4885GUSB 1424/4885

“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.

Send feedback