SCHEMBL5777562

SCHEMBL5777562

O=c1n(C/C=C/CCl)c2ccccc2n1CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
OPRM1 P35372 5/20 0.44
OPRL1 P41146 5/20 0.44
OPRK1 P41145 4/20 0.44
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
GAA P10253 1/20 0.37
PARG Q86W56 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL5813263 1.00 KDM4E (0.46) KDM4EALDH1A1NPSR1HSD17B10OPRM1
SCHEMBL5777567 1.00 KDM4E (0.46) KDM4EALDH1A1NPSR1HSD17B10OPRM1
SCHEMBL12434220 0.77 OPRL1 (0.66) KDM4EALDH1A1NPSR1HSD17B10OPRM1
SCHEMBL7053468 0.76 KDM4E (0.44) KDM4EALDH1A1NPSR1GAACNR2
SCHEMBL7054560 0.76 KDM4E (0.44) KDM4EALDH1A1NPSR1GAACNR2
SCHEMBL7053463 0.76 KDM4E (0.44) KDM4EALDH1A1NPSR1GAACNR2
SCHEMBL13563364 0.76 ALDH1A1 (0.42) KDM4EALDH1A1NPC1GAA
SCHEMBL7254130 0.76 ALDH1A1 (0.48) KDM4EALDH1A1NPSR1HSD17B10OPRM1
SCHEMBL12434372 0.75 PARG (0.54) KDM4EALDH1A1NPSR1HSD17B10OPRM1
SCHEMBL7057641 0.74 P2RX3 (0.41) CNR2

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-1322621-B1 NEW BENZIMIDAZOLONE DERIVATIVES DISPLAYING AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS BOEHRINGER INGELHEIM PHARMA (DE) 2006-10-04 EP disclosed
EP-1322621-A1 NEW BENZIMIDAZOLONE DERIVATIVES DISPLAYING AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-02 EP disclosed
US-6586435-B2 Useful in treatment of anxiety disorders, affective disorders such as depression, psychosis and schizophrenia, Parkinson's disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-01 US disclosed
US-20020103208-A1 Benzimidazolone derivatives displaying affinity at the serotonin and dopamine receptors BAUSCH HEALTH POLAND SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (F/K/A VALEANT PHARMA POLAND SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA) (PL) 2002-08-01 US disclosed
WO-2002024662-A1 NEW BENZIMIDAZOLONE DERIVATIVES DISPLAYING AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS BOEHRINGER INGELHEIM PHARMA GMBH & KO. 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-20020103208-A1 Benzimidazolone derivatives displaying affinity at the serotonin and dopamine receptors OPRM1, HTR2C, HTR1D KDM4E 4053/4885ALDH1A1 385/4885NPSR1 53/4885

“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.