SCHEMBL3705456

SCHEMBL3705456

O=C(c1ccc(OC(F)(F)F)cc1)N(CCN1CCCC1)Cc1ccc(F)c(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 4/20 0.40
▸ SLC6A3 Q01959 4/20 0.40
▸ ROCK2 O75116 3/20 0.40
▸ ROCK1 Q13464 3/20 0.40
▸ GHSR Q92847 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ ABL1 P00519 3/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ KDR P35968 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ BCR P11274 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
Acetic Acid SCHEMBL3698029 0.97 SLC6A4 (0.40) SLC6A4SLC6A3ROCK2ROCK1GHSR
SCHEMBL3698457 0.90 MCHR1 (0.39) ROCK2ROCK1LTA4HKCNH2MCHR1
SCHEMBL3700740 0.90 ROCK1 (0.40) ROCK2ROCK1GHSRLTA4HMCHR1
SCHEMBL3695104 0.86 ROCK2 (0.40) ROCK2ROCK1GHSRLTA4HABL1
SCHEMBL3694397 0.82 CYP17A1 (0.38) ROCK2ROCK1GHSRABL1KCNH2
SCHEMBL6730972 0.80 SLC6A4 (0.42) SLC6A4SLC6A3ABL1MCHR1HRH3
SCHEMBL3697241 0.79 S1PR1 (0.39) ROCK2ROCK1LTA4HMCHR1
SCHEMBL3701725 0.79 GHSR (0.37) SLC6A4SLC6A3GHSRLTA4HCHRM4
SCHEMBL3692025 0.79 KDM4E (0.41) ROCK2ROCK1LTA4HMCHR1
SCHEMBL3694625 0.78 ROCK2 (0.46) ROCK2ROCK1GHSRMCHR1

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 claimed
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 SLC6A4 50/4885SLC6A3 93/4885ROCK2 2422/4885

“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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