SCHEMBL5777217

SCHEMBL5777217

CCCn1c(=O)n(C/C=C/CCl)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
CNR2 P34972 2/20 0.42
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 2/20 0.40
ADORA2B P29275 3/20 0.40
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5774193 1.00 PGR (0.43) PGRCNR2SLC6A2SLC6A4ADORA2B
SCHEMBL5774187 1.00 PGR (0.43) PGRCNR2SLC6A2SLC6A4ADORA2B
SCHEMBL13563364 0.88 ALDH1A1 (0.42) PGRSLC6A2SLC6A4ALDH1A1
SCHEMBL7060173 0.85 TSHR (0.40) TSHRALDH1A1
SCHEMBL7059480 0.85 TSHR (0.40) TSHRALDH1A1
SCHEMBL7059484 0.85 TSHR (0.40) TSHRALDH1A1
SCHEMBL5775377 0.84 CYP1A2 (0.51) TSHRALDH1A1
SCHEMBL5775371 0.84 CYP1A2 (0.51) TSHRALDH1A1
SCHEMBL5776233 0.84 CYP1A2 (0.51) TSHRALDH1A1
SCHEMBL13563352 0.84 BRD4 (0.44) ADORA2BTSHRALDH1A1

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 PGR 378/4885CNR2 41/4885SLC6A2 207/4885

“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.