SCHEMBL6796594

SCHEMBL6796594

CCOC(=O)C1Cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CACNA1C Q13936 7/20 0.46
CACNA1F O60840 2/20 0.46
CACNA1D Q01668 2/20 0.46
CACNA1S Q13698 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
FKBP1A P62942 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ADRA2A P08913 1/20 0.44
PNMT P11086 1/20 0.44
ADRA2B P18089 1/20 0.44

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
SCHEMBL6583969 0.79 CHRNB4 (0.49) ALDH1A1SMN1; SMN2ADRA2APNMTADRA2B
SCHEMBL6583963 0.79 CHRNB4 (0.49) ALDH1A1SMN1; SMN2ADRA2APNMTADRA2B
SCHEMBL17614903 0.76 MAPT (0.46) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL10293181 0.76 MAPT (0.46) MAPTALDH1A1KMT2AGAAKDM4E
SCHEMBL17248041 0.76 MAPT (0.54) MAPTALDH1A1KMT2AGAAFKBP1A
SCHEMBL11030539 0.75 PNMT (0.62) ADRA2APNMTADRA2BADRA2C
SCHEMBL15630433 0.75 PNMT (0.55) MAPTADRA2APNMTADRA2BADRA2C
SCHEMBL11725913 0.75 PNMT (0.62) ADRA2APNMTADRA2BADRA2C
SCHEMBL28009398 0.75 MAPT (0.47) MAPTALDH1A1KMT2AGAAFKBP1A
SCHEMBL27693463 0.74 MAPT (0.46) MAPTALDH1A1KMT2AGAAKDM4E

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
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

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 MAPT 1453/4885ALDH1A1 1424/4885KMT2A 1425/4885
US-20030032812-A1 Cyclobutaindolecarboxamide compounds CYP2W1, HRH4, CNR1 MAPT 1006/4885ALDH1A1 1028/4885KMT2A 1888/4885

“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.