SCHEMBL14939652

SCHEMBL14939652

CC(C)(C)OC(=O)N1CCCC[C@H]1Cc1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.46
▸ NR1H3 Q13133 2/20 0.46
▸ KDM1A O60341 1/20 0.44
▸ DAGLA Q9Y4D2 4/20 0.44
▸ HCRTR1 O43613 2/20 0.42
▸ HCRTR2 O43614 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ABHD6 Q9BV23 3/20 0.42
▸ PRMT5 O14744 1/20 0.41
▸ DAGLB Q8NCG7 2/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ PDE8B O95263 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ ATM Q13315 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
SCHEMBL14939654 1.00 NR1H2 (0.46) NR1H2NR1H3KDM1ADAGLAHCRTR1
SCHEMBL14940096 0.97 NR1H2 (0.47) NR1H2NR1H3KDM1ADAGLAHCRTR1
SCHEMBL14940097 0.97 NR1H2 (0.47) NR1H2NR1H3KDM1ADAGLAHCRTR1
SCHEMBL20828162 0.87 GPR119 (0.48) NR1H2NR1H3KDM1ADAGLAHCRTR1
SCHEMBL8220549 0.87 USP30 (0.47) NR1H2NR1H3KDM1ADAGLAHCRTR1
SCHEMBL10132498 0.84 NR1H2 (0.48) NR1H2NR1H3KDM1ADAGLAHCRTR1
SCHEMBL10132370 0.83 ALDH1A1 (0.50) NR1H2NR1H3HCRTR1HCRTR2MAPT
SCHEMBL10132273 0.83 GPR119 (0.49) NR1H2NR1H3DAGLAHCRTR1HCRTR2
SCHEMBL16766666 0.83 NR1H2 (0.45) NR1H2NR1H3HCRTR1HCRTR2CYP3A4
SCHEMBL16766665 0.83 NR1H2 (0.45) NR1H2NR1H3HCRTR1HCRTR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776430-B1 2- (1,2,3-TRIAZOL-2-YL) BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL) PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-16 — — EP disclosed
US-9150566-B2 2-(1,2,3-triazol-2-yl)benzamide and 3-(1,2,3-triazol-2-YL)picolinamide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-06 — — US disclosed
US-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-06-11 — — US disclosed
EP-2776430-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-09-17 — — EP disclosed
WO-2013068935-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 — — WO 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-20150158855-A1 2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R NR1H2 299/4885NR1H3 354/4885KDM1A 1011/4885

“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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