SCHEMBL3282934

SCHEMBL3282934

CCCCCc1nc(C(N)=O)nn1CCCCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
CNR1 P21554 6/20 0.34
CNR2 P34972 5/20 0.34
PPARG P37231 3/20 0.34
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL13585976 0.74 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL27682489 0.73 TLR8 (0.36) TLR8CNR1CNR2AGTR1AGTR2
SCHEMBL3426317 0.72 ALOX12 (0.46) SMN1; SMN2
SCHEMBL3219891 0.72 CNR1 (0.48) CNR1CNR2
SCHEMBL3225639 0.69 TLR8 (0.46) TLR8CNR1
SCHEMBL251852 0.68 MEN1 (0.31)
SCHEMBL251851 0.67 ALDH1A1 (0.30) LMNA
SCHEMBL11510479 0.67 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRAGTR1AGTR2
SCHEMBL11557183 0.66 KDR (0.39) TLR8SMN1; SMN2LMNATSHR
SCHEMBL6822701 0.65 MAPK1 (0.32) SMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995000499-A1 HERBICIDAL SUBSTITUTED 1,5-DIARYL-1H-1,2,4-TRIAZOL-3-CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-01-05 WO claimed
US-7781471-B2 Diaryl triazolmethylamine derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-24 US disclosed
EP-1966167-B1 DIARYLTRIAZOLMETHYLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-06-16 EP disclosed
EP-1542678-B1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB sb 1 /sb RECEPTOR LIGANDS SOLVAY PHARM BV (NL) 2010-02-24 EP disclosed
US-20080293794-A1 DIARYLTRIAZOLMETHYLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
EP-1966167-A1 DIARYLTRIAZOLMETHYLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF sanofi-aventis (FR) 2008-09-10 EP disclosed
US-7319110-B2 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2008-01-15 US disclosed
WO-2007068814-A1 DIARYLTRIAZOLMETHYLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-21 WO disclosed
EP-1753413-A2 NOVEL MEDICAL USES OF COMPOUNDS SHOWING CB SB 1/SB -ANTAGONISTIC ACTIVITY AND COMBINATION TREATMENT INVOLVING SAID COMPOUNDS Solvay Pharmaceuticals GmbH (DE) 2007-02-21 EP disclosed
US-20050124660-A1 Compounds for treatment of diseases using enzyme inhibitors, cognition activators for nervous system disorders, psychological disorders or obesity in children SOLVAY PHARMACEUTICALS GMBH (DE) 2005-06-09 US disclosed
WO-2005039550-A2 NOVEL MEDICAL USES OF COMPOUNDS SHOWING CB1-ANTAGONISTIC ACTIVITY AND COMBINATION TREATMENT INVOLVING SAID COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-06 WO disclosed
US-20040106614-A1 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-06-03 US disclosed
WO-1995000499-A1 HERBICIDAL SUBSTITUTED 1,5-DIARYL-1H-1,2,4-TRIAZOL-3-CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-01-05 WO disclosed
WO-1995000499-A1 HERBICIDAL SUBSTITUTED 1,5-DIARYL-1H-1,2,4-TRIAZOL-3-CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-01-05 WO disclosed
WO-1995000499-A1 HERBICIDAL SUBSTITUTED 1,5-DIARYL-1H-1,2,4-TRIAZOL-3-CARBOXAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-01-05 WO disclosed
EP-0189300-B1 DIHYDROTRIAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-06 EP 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 (3 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-20080293794-A1 DIARYLTRIAZOLMETHYLAMINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF LTB4R2, LTB4R, CYSLTR1 TLR8 1089/4885CNR1 31/4885CNR2 15/4885
US-20040106614-A1 1H-1,2,4-triazole-3-carboxamide derivatives having cannabinoid-CB1 receptor agonistic, partial agonistic, inverse agonistic or antagonistic activity CNR1, CNR2, GPR3 TLR8 1647/4885CNR1 1/4885CNR2 2/4885
US-20050124660-A1 Compounds for treatment of diseases using enzyme inhibitors, cognition activators for nervous system disorders, psychological disorders or obesity in children PNLIP, DLAT, LPCAT3 TLR8 1262/4885CNR1 46/4885CNR2 28/4885

“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.