SCHEMBL6799096

SCHEMBL6799096

COC(=O)C1Cc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
PNMT P11086 4/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSP90AA1 P07900 1/20 0.40
MMP8 P22894 2/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL6583708 0.82 CHRNB4 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL6583712 0.82 CHRNB4 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL4003098 0.79 MAPT (0.44) MAPTPKMHTTPNMTADRA2A
SCHEMBL6797112 0.76 GAA (0.39) MAPTALDH1A1MMP8MMP3
SCHEMBL3604041 0.76 ALDH1A1 (0.55) MAPTPKMHTTPNMTADRA2A
SCHEMBL3417137 0.75 MAPT (0.47) MAPTPKMHTTPNMTADRA2A
SCHEMBL13224204 0.75 MAPT (0.47) MAPTPKMHTTPNMTADRA2A
SCHEMBL6199612 0.75 PKM (0.46) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6796594 0.74 MAPT (0.48) MAPTPNMTADRA2AADRA2BADRA2C
SCHEMBL7511375 0.74 MAPT (0.40) MAPTCHRNB2CHRNB4CHRNA3CHRNA4

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 1453/4885CHRNB2 190/4885CHRNB4 48/4885
US-20030032812-A1 Cyclobutaindolecarboxamide compounds CYP2W1, HRH4, CNR1 MAPT 1006/4885CHRNB2 375/4885CHRNB4 245/4885

“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.