SCHEMBL6582383

SCHEMBL6582383

COC(CNc1cccc(C2(C#N)CCC2)c1)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
WDR5 P61964 1/20 0.32
ICMT O60725 1/20 0.32
OPRM1 P35372 2/20 0.32
POLB P06746 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL7539835 0.71 KMT2A (0.74) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL22392274 0.70 RET (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6579693 0.70 KMT2A (0.37) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11705011 0.69 PDE4A (0.42) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL11079274 0.69 MAPT (0.58) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL624786 0.69 KMT2A (0.47) KMT2ASLC6A4SLC6A3OPRM1
SCHEMBL2515106 0.69 BDKRB1 (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7387709 0.68 KMT2A (0.74) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL11704947 0.68 SLC6A3 (0.40) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6313636 0.67 KMT2A (0.72) KMT2AMEN1ALDH1A1KDM4ELMNA

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 6 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-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 (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 KMT2A 1425/4885MEN1 2848/4885NPC1 2221/4885
US-20030032812-A1 Cyclobutaindolecarboxamide compounds CYP2W1, HRH4, CNR1 KMT2A 1888/4885MEN1 2739/4885NPC1 2218/4885

“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.