SCHEMBL6584097

SCHEMBL6584097

CC(=O)Nc1cccc2c1C(C#N)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC18A3 Q16572 1/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOA P21397 1/20 0.37
POLB P06746 1/20 0.36
CYP2C19 P33261 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
SCHEMBL6584249 0.77 DRD2 (0.42) MTNR1AMTNR1BALDH1A1HPGDKDM4E
SCHEMBL13414547 0.72 ALDH1A1 (0.52) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL6983401 0.71 HTR1A (0.36) MAOA
SCHEMBL10688111 0.71 NPC1 (0.48) NPC1RAB9AALDH1A1KMT2AMAOA
SCHEMBL7326549 0.70 MTNR1A (0.62) NPC1RAB9AMTNR1AMTNR1BALDH1A1
SCHEMBL7542927 0.67 LDHA (0.32)
SCHEMBL8032564 0.67 ALDH1A1 (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2MEN1
SCHEMBL3163101 0.67 HTR2A (0.43) NPC1RAB9AMTNR1AMTNR1BHTT
SCHEMBL6473995 0.66 NPC1 (0.56) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL12355696 0.66 NPC1 (0.49) NPC1RAB9AMTNR1AMTNR1BALDH1A1

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 NPC1 2221/4885RAB9A 3085/4885MTNR1A 1033/4885
US-20030032812-A1 Cyclobutaindolecarboxamide compounds CYP2W1, HRH4, CNR1 NPC1 2218/4885RAB9A 2544/4885MTNR1A 466/4885

“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.