SCHEMBL6796596

SCHEMBL6796596

CCOC(=O)C1(Cc2ccccc2)CCC1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ADAM17 P78536 1/20 0.46
LMNA P02545 3/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
OPRM1 P35372 3/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6583966 0.83 HSD11B1 (0.38) SMN1; SMN2OPRM1ALDH1A1HTT
SCHEMBL4807305 0.76 KDM4E (0.51) KDM4EADAM17LMNAMEN1KMT2A
SCHEMBL4812849 0.72 KDM4E (0.47) KDM4EADAM17LMNAMEN1KMT2A
SCHEMBL4807371 0.71 KDM4E (0.46) KDM4EADAM17LMNAMEN1KMT2A
SCHEMBL28964761 0.69 L3MBTL1 (0.53) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6627628 0.69 KDM4E (0.64) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3718479 0.69 KDM4E (0.64) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4811204 0.68 KDM4E (0.46) KDM4EADAM17LMNAMEN1KMT2A
SCHEMBL4813521 0.68 KDM4E (0.44) KDM4EADAM17LMNAMEN1KMT2A
SCHEMBL28964800 0.68 CYP3A4 (0.54) KDM4ELMNAMEN1KMT2ASMN1; SMN2

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 KDM4E 1243/4885ADAM17 4466/4885LMNA 2513/4885
US-20030032812-A1 Cyclobutaindolecarboxamide compounds CYP2W1, HRH4, CNR1 KDM4E 2090/4885ADAM17 4375/4885LMNA 2071/4885

“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.