SCHEMBL3694550

SCHEMBL3694550

Cc1c[nH]c2ccc(-c3ccc(F)c(C(c4ccc(F)cc4)N4CCN(C)CC4)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 3/20 0.39
▸ MAP3K11 Q16584 1/20 0.38
▸ P4HB P07237 1/20 0.36
▸ TDO2 P48775 1/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ PSMD14 O00487 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ACHE P22303 3/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 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
SCHEMBL3698108 0.86 ACHE (0.38) MPOP4HBTDO2HSP90AA1PSMD14
SCHEMBL27693859 0.86 ACHE (0.38) MPOP4HBTDO2HSP90AA1PSMD14
SCHEMBL3695528 0.81 CYP19A1 (0.43) MAP3K11P4HBTDP1ACHEHTR1A
SCHEMBL3695743 0.78 TGFBR1 (0.42) MAP3K11P4HB
SCHEMBL3698224 0.76 KCNH2 (0.45) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL3694945 0.75 TDO2 (0.39) P4HBTDO2ACHESLC6A2SLC6A4
SCHEMBL27693921 0.75 TDO2 (0.39) P4HBTDO2ACHESLC6A2SLC6A4
SCHEMBL3698899 0.74 OPRD1 (0.38) P4HBTDO2SLC6A2SLC6A4SLC6A3
SCHEMBL27713732 0.72 TSHR (0.50) P4HBTDO2SLC6A4TSHR
SCHEMBL28770532 0.69 ACHE (0.34) P4HBACHEADRA1ADRD3KCNH2

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 7 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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US claimed
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
US-7618650-B2 Combination of a hypnotic agent and substituted bis aryl and heteroaryl compound and therapeutic application thereof AVENTIS PHARMACEUTICALS INC (US) 2009-11-17 — — US disclosed
US-20080138413-A1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 — — 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 (2 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-20080138413-A1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF HCRTR1, HCRTR2, MTNR1B MPO 1302/4885MAP3K11 4721/4885P4HB 3316/4885
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C MPO 2944/4885MAP3K11 4472/4885P4HB 4494/4885

“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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