SCHEMBL1532836

SCHEMBL1532836

Nc1ccnc(OC(=O)N2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL27860908 0.81 NOS3 (0.45) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL16372067 0.77 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL26132552 0.75 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL27837097 0.74 CYP19A1 (0.40) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL31605044 0.74 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL31605051 0.74 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL829632 0.72 POLB (0.53) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL29854519 0.72 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL30101102 0.72 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL30311143 0.72 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2MAPTLMNA

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
EP-2607362-B1 Piperidine and piperazine carboxylates as FAAH inhibitors ASTELLAS PHARMA INC (JP) 2014-12-31 EP disclosed
EP-1849773-B1 Piperazine derivatives for the treatment of urinary incontinence and pain ASTELLAS PHARMA INC (JP) 2013-10-16 EP disclosed
EP-2607362-A1 Piperidine and piperazine carboxylates as FAAH inhibitors Astellas Pharma Inc. (JP) 2013-06-26 EP disclosed
US-7919495-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7919494-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7915261-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-03-29 US disclosed
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FMC CORPORATION (US) 2008-12-11 US disclosed
EP-1849773-A1 PYRIDYL NON-AROMATIC NITROGENATED HETEROCYCLIC-1-CARBOXYLATE ESTER DERIVATIVE Astellas Pharma Inc. (JP) 2007-10-31 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-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FAAH, FAAH2, APEH ALDH1A1 113/4885POLB 3428/4885SMN1; SMN2 1085/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 ALDH1A1 133/4885POLB 3518/4885SMN1; SMN2 1854/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 ALDH1A1 134/4885POLB 3448/4885SMN1; SMN2 1761/4885

“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.