SCHEMBL433070

SCHEMBL433070

NC(=O)C1CCCN1C[CH]c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
SPHK1 Q9NYA1 2/20 0.48
SCN3A Q9NY46 1/20 0.44
DPP4 P27487 2/20 0.42
AR P10275 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 1/20 0.41
ELANE P08246 2/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CYP1A2 P05177 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
CYP2C19 P33261 1/20 0.39
CTSK P43235 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL2911570 1.00 POLB (0.49) POLBSPHK1SCN3ADPP4AR
SCHEMBL4631881 0.96 POLB (0.46) POLBSPHK1SCN3ADPP4AR
SCHEMBL4705439 0.96 POLB (0.46) POLBSPHK1SCN3ADPP4AR
SCHEMBL12486018 0.84 VNN1 (0.45) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL17865501 0.81 SPHK1 (0.52) POLBSPHK1SCN3ADPP4AR
SCHEMBL3594485 0.81 SPHK1 (0.52) POLBSPHK1SCN3ADPP4AR
SCHEMBL408684 0.78 SPHK1 (0.71) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL5154674 0.78 SPHK1 (0.71) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL408685 0.78 SPHK1 (0.71) POLBSPHK1SCN3AMAOAMAOB
SCHEMBL4701752 0.78 SPHK1 (0.47) POLBSPHK1SCN3AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US claimed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US claimed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO claimed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
EP-2760862-B1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2015-10-21 EP disclosed
EP-2760862-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2014-08-06 EP disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 US disclosed
WO-2013045413-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-04-04 WO disclosed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 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 (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-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP4K2 POLB 3202/4885SPHK1 436/4885SCN3A 1882/4885
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 POLB 2907/4885SPHK1 2026/4885SCN3A 220/4885

“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.