SCHEMBL7060110

SCHEMBL7060110

COCCn1c(=O)n(CCCCCl)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.46
ADORA2B P29275 4/20 0.44
XBP1 P17861 1/20 0.44
BRD4 O60885 1/20 0.44
PKM P14618 1/20 0.41
GRM4 Q14833 1/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL7059524 0.89 GAA (0.49) TSHRMEN1KMT2AGAARAB9A
SCHEMBL7291994 0.83 TSHR (0.47) TSHRMEN1KMT2AGAARAB9A
SCHEMBL8138126 0.81 TSHR (0.46) TSHRMEN1KMT2AGAARAB9A
SCHEMBL8129987 0.81 CNR2 (0.50) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8130570 0.81 TSHR (0.62) TSHRMEN1KMT2AGAARAB9A
SCHEMBL7053446 0.80 TSHR (0.43) TSHRMEN1KMT2ARAB9ANPC1
SCHEMBL13563352 0.78 BRD4 (0.44) TSHRMEN1KMT2AGAARAB9A
SCHEMBL13563350 0.78 MEN1 (0.44) TSHRMEN1KMT2AGAARAB9A
SCHEMBL8147504 0.76 TSHR (0.44) TSHRMEN1KMT2ARAB9ANPC1
SCHEMBL8133378 0.76 CYP3A4 (0.44) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1

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-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-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 285/4885MEN1 2545/4885KMT2A 3859/4885

“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.