SCHEMBL6580381

SCHEMBL6580381

N#CC1Cc2ccc3[nH]ccc3c21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.40
HTR1B P28222 11/20 0.40
JAK3 P52333 3/20 0.36
TYK2 P29597 2/20 0.36
JAK2 O60674 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL6986722 0.70 ANPEP (0.40)
SCHEMBL6581524 0.67 IMPDH2 (0.41)
SCHEMBL6983401 0.66 HTR1A (0.36) DRD2DRD4DRD3
SCHEMBL2398840 0.65 AHR (0.52) HTR1DHTR1B
SCHEMBL4247534 0.61 ACHE (0.43) DRD2
SCHEMBL30396640 0.61 DRD2 (0.42) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL6989258 0.61 HTR1A (0.41) DRD3
SCHEMBL10547184 0.61 AHR (0.50)
SCHEMBL29168535 0.61 HTR1D (0.38) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL7392855 0.60 HTR1D (0.51) HTR1DHTR1BDRD2DRD3

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-1146044-B1 CNS active cyclobuta-indole carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-09-01 EP disclosed
US-6743818-B2 TREATING ANXIETY, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE, COGNITIVE DISORDERS, PSYCHOSES, DEPRESSION AND MOOD DISORDERS LES LABORATOIRES SERVIER (FR) 2004-06-01 US disclosed
US-20030032812-A1 Cyclobutaindolecarboxamide compounds PEGLION JEAN-LOUIS (FR) 2003-02-13 US disclosed
US-20010044426-A1 Cyclobutaindolecarboxamide compounds LES LABORATOIRES SERVIER (FR) 2001-11-22 US disclosed
EP-1146044-A1 CNS active cyclobuta-indole carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-10-17 EP 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 (2 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-20010044426-A1 Cyclobutaindolecarboxamide compounds HRH4, HTR4, CNR1 HTR1D 55/4885HTR1B 49/4885JAK3 2854/4885
US-20030032812-A1 Cyclobutaindolecarboxamide compounds CYP2W1, HRH4, CNR1 HTR1D 37/4885HTR1B 28/4885JAK3 2752/4885

“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.