SCHEMBL5515537

SCHEMBL5515537

N#Cc1ccc(-c2ncc(N3CCS(=O)(=O)CC3)nc2-c2ccncc2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.73
▸ CNR2 P34972 2/20 0.73
▸ PTPN11 Q06124 3/20 0.42
▸ SMO Q99835 1/20 0.36
▸ MAOB P27338 1/20 0.35
▸ MET P08581 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34

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
SCHEMBL5520242 0.90 CNR1 (0.59) CNR1CNR2PTPN11SMOMAOB
SCHEMBL14545302 0.89 CNR1 (0.80) CNR1CNR2PTPN11CKS1BSKP1
SCHEMBL14545384 0.87 CNR1 (0.77) CNR1CNR2PTPN11SMOCKS1B
SCHEMBL5519435 0.82 PTPN11 (0.49) CNR1CNR2PTPN11METCKS1B
SCHEMBL14545613 0.82 CNR1 (0.72) CNR1CNR2PTPN11CKS1BSKP1
SCHEMBL14544944 0.82 CNR1 (0.78) CNR1CNR2CKS1BSKP1SKP2
SCHEMBL14544965 0.80 CNR1 (0.67) CNR1CNR2MET
SCHEMBL14544955 0.77 CNR1 (0.65) CNR1CNR2PTPN11ALOX5AP
SCHEMBL4689486 0.76 CNR1 (0.58) CNR1CNR2PTPN11
SCHEMBL14545456 0.75 CNR1 (0.62) CNR1CNR2PTPN11SMO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 — — US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 — — 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 (1 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885PTPN11 3050/4885

“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.

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