SCHEMBL3702872

SCHEMBL3702872

O=C(c1ccc(F)cc1)N(Cc1cc(-c2ccc3c(c2)nnn3C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1F)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGER Q15109 2/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ TACR1 P25103 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ MBTPS1 Q14703 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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 0.89 ACKR3 (0.42) AGERMTNR1ATACR1HSD17B10KCNH2
SCHEMBL3692949 0.88 AGER (0.38) AGERMTNR1AHSD17B10DCUN1D1OPRM1
SCHEMBL3702720 0.83 MEN1 (0.35) AGERMTNR1AOPRM1HTR2AMEN1
SCHEMBL3703547 0.79 TRPM8 (0.33) MEN1KMT2A
SCHEMBL3706504 0.78 HSP90AA1 (0.37) HSD17B10LMNAALDH1A1KDM4EUSP2
SCHEMBL3703546 0.78 HSP90AA1 (0.37) HSD17B10LMNAALDH1A1KDM4EUSP2
SCHEMBL3697950 0.77 NSD2 (0.40) AGERMTNR1ASLC6A4SLC6A2TACR1
SCHEMBL27713755 0.76 NPC1 (0.33) —
SCHEMBL4490352 0.75 DYRK2 (0.41) AGERMTNR1ASLC6A4SLC6A2TACR1
SCHEMBL27693870 0.73 — —

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 25/4885SLC6A4 50/4885

“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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