SCHEMBL13604748

SCHEMBL13604748

CN1CCC(N(Cc2cccc(-c3ccc4[nH]ccc4c3)c2)C(=O)c2cccs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.51
▸ CACNA2D1 P54289 8/20 0.48
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ GFER P55789 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ ST14 Q9Y5Y6 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL13604749 0.88 CACNA2D1 (0.47) OPRM1CACNA2D1CTNNB1WNT3ANPC1
SCHEMBL3692393 0.86 TP53 (0.43) OPRM1
SCHEMBL3695933 0.86 CACNA2D1 (0.38) OPRM1CACNA2D1F2F10PLG
SCHEMBL3693392 0.85 OPRM1 (0.43) OPRM1F2F10PLGPLAU
SCHEMBL3698984 0.84 OPRM1 (0.48) OPRM1CACNA2D1
SCHEMBL27711121 0.82 DYRK1A (0.42) —
SCHEMBL6730073 0.78 AOC3 (0.34) F2F10PLGPLAUST14
SCHEMBL3698160 0.74 HTR2A (0.41) —
SCHEMBL6731178 0.73 F2 (0.38) OPRM1F2F10PLGPLAU
SCHEMBL6730692 0.73 FASN (0.42) OPRK1

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 4 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-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 OPRM1 65/4885CACNA2D1 1954/4885CTNNB1 2163/4885

“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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