SCHEMBL7063025

SCHEMBL7063025

COC(=O)C1Cc2cc3ccn(S(C)(=O)=O)c3cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.40
DRD3 P35462 10/20 0.40
DRD2 P14416 3/20 0.40
BACE1 P56817 1/20 0.38
CYP3A4 P08684 3/20 0.34
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.34
FABP4 P15090 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
TP53 P04637 1/20 0.31

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
SCHEMBL6584447 0.86 BACE1 (0.40) HTR6DRD3DRD2BACE1CYP3A4
SCHEMBL6582959 0.73 HTR6 (0.40) HTR6DRD3DRD2BACE1CYP3A4
SCHEMBL6214583 0.69 BACE1 (0.41) HTR6BACE1FABP4HDAC1HDAC6
SCHEMBL5201525 0.67 KDM4E (0.51) HTR6BACE1CYP3A4FABP4HDAC1
SCHEMBL30895925 0.67 KDM4E (0.51) HTR6BACE1CYP3A4FABP4HDAC1
SCHEMBL3130145 0.67 SMN1; SMN2 (0.43)
SCHEMBL548190 0.67 SMN1; SMN2 (0.43)
SCHEMBL6797112 0.65 GAA (0.39) DRD2
SCHEMBL6215672 0.64 FABP4 (0.43) HTR6BACE1CYP3A4FABP4
SCHEMBL3136218 0.63 P2RX7 (0.46) CYP3A4

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 HTR6 160/4885DRD3 462/4885DRD2 437/4885
US-20030032812-A1 Cyclobutaindolecarboxamide compounds CYP2W1, HRH4, CNR1 HTR6 77/4885DRD3 575/4885DRD2 606/4885

“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.