SCHEMBL3701776

SCHEMBL3701776

CN(C)CCNC(=O)c1cc(-c2ccc3[nH]ccc3c2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HRH4 Q9H3N8 2/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ WNT1 P04628 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ FASN P49327 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ KDR P35968 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK9 P50750 1/20 0.40

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
SCHEMBL15858028 0.84 BRAF (0.50) HTTSMN1; SMN2HRH4HRH3HTR2C
SCHEMBL29214182 0.78 HDAC1 (0.59) HTTSMN1; SMN2HRH4HRH3HTR2C
SCHEMBL30914584 0.78 HDAC1 (0.59) HTTSMN1; SMN2HRH4HRH3HTR2C
SCHEMBL3701778 0.76 EGFR (0.43) FASNSLC40A1PTGS2KDR
SCHEMBL13908138 0.71 MAPK14 (0.49) HTTSMN1; SMN2HTR2CALDH1A1
SCHEMBL1679745 0.71 PRKD3 (0.73) JAK2KDRCDK2
SCHEMBL12824663 0.70 ALDH1A1 (0.46) HTR2CALDH1A1
SCHEMBL4343543 0.70 RAD52 (0.62) HTTSMN1; SMN2RAD52CYP1A2KDM4E
SCHEMBL3695341 0.70 NPC1 (0.42) FASNPTGS2CTNNB1WNT3AKDR
SCHEMBL8957463 0.69 HDAC1 (0.44) HTR2CALDH1A1

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 15 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-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS Aventis Pharmaceuticals, Inc. (US) 2007-11-07 — — EP claimed
WO-2006086705-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-17 — — WO 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
EP-1928442-B1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA INC (US) 2009-11-04 — — EP disclosed
CN-101242819-A Hypnotics and combinations of substituted biaryl and heteroaryl compounds and therapeutic uses thereof AVENTIS PHARMA INC (US) 2008-08-13 — — CN 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
EP-1928442-A2 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF Aventis Pharmaceuticals Inc. (US) 2008-06-11 — — EP 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-2007024600-A2 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — WO 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 (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 HTT 671/4885SMN1; SMN2 3279/4885HRH4 40/4885
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C HTT 346/4885SMN1; SMN2 2252/4885HRH4 91/4885

“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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