SCHEMBL7053446

SCHEMBL7053446

O=c1n(CCO)c2ccccc2n1CCCCCl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
APEX1 P27695 1/20 0.43
SLC5A2 P31639 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 2/20 0.40
TDO2 P48775 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7056983 0.88 APEX1 (0.47) TSHRAPEX1SLC5A2ALDH1A1TDO2
SCHEMBL3697820 0.86 APEX1 (0.55) TSHRAPEX1SLC5A2ALDH1A1TDO2
SCHEMBL318244 0.85 TSHR (0.44) TSHRMEN1KMT2AAPEX1ALDH1A1
SCHEMBL7291994 0.83 TSHR (0.47) TSHRMEN1KMT2AALDH1A1CNR2
SCHEMBL8138126 0.82 TSHR (0.46) TSHRMEN1KMT2AALDH1A1CNR2
SCHEMBL8129987 0.82 CNR2 (0.50) TSHRMEN1KMT2AALDH1A1CNR2
SCHEMBL8130570 0.81 TSHR (0.62) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL8133378 0.80 CYP3A4 (0.44) TSHRMEN1KMT2AAPEX1ALDH1A1
SCHEMBL7060110 0.80 TSHR (0.50) TSHRMEN1KMT2AALDH1A1NPC1
SCHEMBL7058124 0.78 KDM4E (0.51) TSHRMEN1KMT2ACNR2NPC1

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.