SCHEMBL3692949

SCHEMBL3692949

CC(C)N1CCC(N(Cc2cc(-c3ccc4c(c3)nnn4C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2F)C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AGER Q15109 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ CCR5 P51681 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ UBE2M P61081 4/20 0.35
▸ DCUN1D1 Q96GG9 4/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ HTR2A P28223 3/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL3702865 0.90 ACKR3 (0.42) AGERMTNR1AOPRM1ACKR3HTR2A
SCHEMBL3702872 0.88 AGER (0.40) AGERMTNR1AOPRM1DCUN1D1HTR2A
SCHEMBL3702720 0.85 MEN1 (0.35) AGERMTNR1AOPRM1ACKR3HTR2A
SCHEMBL3698989 0.79 CCR5 (0.36) AGERMTNR1ACCR5HRH3OPRM1
SCHEMBL3703546 0.78 HSP90AA1 (0.37) ACKR3HSD17B10
SCHEMBL3706504 0.78 HSP90AA1 (0.37) ACKR3HSD17B10
SCHEMBL3703547 0.77 TRPM8 (0.33) —
SCHEMBL27713755 0.77 NPC1 (0.33) —
SCHEMBL3700235 0.75 HTR2A (0.40) AGERMTNR1ACCR5HRH3ACKR3
SCHEMBL3693865 0.71 HTR2A (0.41) HTR2A

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 6 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 disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
CN-101115717-A Substituted bis aryl and heteroaryl compounds as selective 5ht2a antagonists AVENTIS PHARMA INC (US) 2008-01-30 — — CN disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
EP-1851199-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-11-07 — — EP disclosed
WO-2006086705-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-17 — — WO 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 AGER 1115/4885MTNR1A 25/4885CCR5 1001/4885

“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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