SCHEMBL3697284

SCHEMBL3697284

CN1CCN(Cc2cccc(-c3ccc4[nH]ccc4c3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.55
MAP3K11 Q16584 2/20 0.55
SGK1 O00141 1/20 0.55
IKBKB O14920 1/20 0.55
AURKA O14965 1/20 0.55
CHUK O15111 1/20 0.55
PRKAB2 O43741 1/20 0.55
ROCK2 O75116 1/20 0.55
ABL1 P00519 1/20 0.55
NTRK1 P04629 1/20 0.55
INSR P06213 1/20 0.55
LCK P06239 1/20 0.55
CDK1 P06493 1/20 0.55
IGF1R P08069 1/20 0.55
MET P08581 1/20 0.55
CYP3A4 P08684 1/20 0.55
SRC P12931 1/20 0.55
FLT1 P17948 1/20 0.55
CDK2 P24941 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL3695011 0.95 CHKA (0.53) MAPK14MAP3K11SGK1IKBKBAURKA
SCHEMBL3217535 0.85 MAP3K11 (0.56) MAPK14MAP3K11SGK1IKBKBAURKA
Ammonia Solution, Strong SCHEMBL27758936 0.84 MAP3K11 (0.55) MAPK14MAP3K11SGK1IKBKBAURKA
SCHEMBL15758725 0.84 MAP3K11 (0.83) MAPK14MAP3K11SGK1IKBKBAURKA
SCHEMBL12965684 0.81 INSR (0.64) MAPK14MAP3K11SGK1IKBKBAURKA
SCHEMBL2527223 0.78 MAP3K11 (0.75) MAPK14MAP3K11SGK1IKBKBAURKA
SCHEMBL21495134 0.78 MC4R (0.71) NPC1HTR1ACHRM3FAAHMC4R
SCHEMBL3705209 0.78 MAP4K4 (0.52) MAPK14MAP3K11SGK1IKBKBAURKA
SCHEMBL24061112 0.77 NMT1 (0.57) TLR8TLR7TLR9CHRM3MC4R
SCHEMBL10269696 0.77 NPC1 (0.62) TNIKPRKACAPRKACGPRKACBNPC1

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 13 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-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-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
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 (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 MAPK14 4605/4885MAP3K11 4721/4885SGK1 2904/4885
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C MAPK14 4665/4885MAP3K11 4472/4885SGK1 3059/4885

“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.