SCHEMBL7059484

SCHEMBL7059484

O=c1n(CC=CCCl)c2ccccc2n1CCO

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
APEX1 P27695 1/20 0.40
SLC5A2 P31639 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TDO2 P48775 1/20 0.37
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CMA1 P23946 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7059480 1.00 TSHR (0.40) TSHRAPEX1SLC5A2ALDH1A1TDO2
SCHEMBL7060173 1.00 TSHR (0.40) TSHRAPEX1SLC5A2ALDH1A1TDO2
SCHEMBL5774187 0.85 PGR (0.43) TSHRALDH1A1
SCHEMBL5774193 0.85 PGR (0.43) TSHRALDH1A1
SCHEMBL5777217 0.85 PGR (0.43) TSHRALDH1A1
SCHEMBL3697820 0.82 APEX1 (0.55) TSHRAPEX1SLC5A2ALDH1A1TDO2
SCHEMBL5775377 0.81 CYP1A2 (0.51) TSHRALDH1A1NPC1GAAL3MBTL1
SCHEMBL5776233 0.81 CYP1A2 (0.51) TSHRALDH1A1NPC1GAAL3MBTL1
SCHEMBL13563364 0.81 ALDH1A1 (0.42) APEX1ALDH1A1MAPTNPC1GAA
SCHEMBL5775371 0.81 CYP1A2 (0.51) TSHRALDH1A1NPC1GAAL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322622-B1 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS SPROUT PHARMACEUTICALS INC (US) 2012-10-31 EP disclosed
EP-1322622-A2 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-02 EP disclosed
US-6521623-B1 1-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-3-(2-hydroxyethyl) -1,3-dihydro-2H-benzimidazol-2-one for example; treating anxiety disorders and psychological disorders, brain injuries BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-18 US disclosed
US-20030027823-A1 N,N'-disubstituted benzimidazolone derivatives with affinity at the serotonin and dopamine receptors Salix Pharmaceuticals, Ltd 2003-02-06 US disclosed
WO-2002024661-A2 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-28 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-20030027823-A1 N,N'-disubstituted benzimidazolone derivatives with affinity at the serotonin and dopamine receptors OPRM1, HTR2C, HTR3C TSHR 285/4885APEX1 2684/4885SLC5A2 2087/4885

“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.