SCHEMBL7057530

SCHEMBL7057530

O=c1n(CCCl)c2ccccc2n1CCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.52
HTR7 P34969 1/20 0.51
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
CNR1 P21554 3/20 0.47
HDAC1 Q13547 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL7057627 0.90 CNR2 (0.49) CNR2HTR7TSHRCNR1
SCHEMBL13563353 0.86 KDM4E (0.49) CNR2HTR7LMNA
SCHEMBL7059044 0.84 CNR2 (0.47) CNR2HTR7TSHRLMNACNR1
SCHEMBL7059035 0.84 CNR2 (0.47) CNR2HTR7TSHRLMNACNR1
SCHEMBL13354921 0.83 CNR2 (0.53) CNR2HTR7TSHRLMNACNR1
SCHEMBL11811721 0.82 APEX1 (0.50) TSHRLMNAPOLBGAA
SCHEMBL13007407 0.79 CNR2 (0.50) CNR2HTR7TSHRLMNACNR1
SCHEMBL13322667 0.78 CNR2 (0.54) CNR2HTR7LMNACNR1
SCHEMBL14261219 0.77 CNR2 (0.64) CNR2HTR7TSHRLMNACNR1
SCHEMBL7272865 0.77 CNR2 (0.49) CNR2HTR7CNR1

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 CNR2 54/4885HTR7 19/4885TSHR 285/4885

“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.