SCHEMBL6579693

SCHEMBL6579693

COC(CN(c1cccc(C2(C#N)CCC2)c1)S(C)(=O)=O)OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
PER2 O15055 6/20 0.37
CRY1 Q16526 5/20 0.37
CRY2 Q49AN0 5/20 0.37
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
WDR5 P61964 3/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
MEN1 O00255 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6582383 0.70 KMT2A (0.41) KMT2ALMNAMAPTWDR5ALDH1A1
SCHEMBL6204631 0.68 KMT2A (0.43) KMT2AALDH1A1SMN1; SMN2SLC6A4SLC6A3
SCHEMBL6579690 0.67 MAPT (0.33) PER2CRY1CRY2LMNAMAPT
SCHEMBL7539835 0.66 KMT2A (0.74) KMT2ALMNAMAPTALDH1A1SLC6A4
SCHEMBL624786 0.64 KMT2A (0.47) KMT2ASLC6A4SLC6A3
SCHEMBL2515106 0.64 BDKRB1 (0.48) KMT2ALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL7387709 0.64 KMT2A (0.74) KMT2ALMNAMAPTALDH1A1SLC6A4
SCHEMBL6213755 0.63 GAA (0.40) KMT2APER2CRY1CRY2NPSR1
SCHEMBL29858803 0.63 PDE4B (0.48) KMT2AWDR5SMN1; SMN2MEN1
SCHEMBL6313636 0.63 KMT2A (0.72) KMT2ALMNAMAPTALDH1A1SLC6A4

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 4 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-6452015-B2 FOR TREATMENT OF ANXIETY, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE, COGNITIVE DISORDERS, PSYCHOSES, DEPRESSION AND MOOD DISORDERS LES LABORATOIRES SERVIER (FR) 2002-09-17 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 (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-20010044426-A1 Cyclobutaindolecarboxamide compounds HRH4, HTR4, CNR1 KMT2A 1425/4885PER2 2055/4885CRY1 1935/4885

“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.