SCHEMBL12735792

SCHEMBL12735792

NC(=O)Cc1cccc(OC2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 5/20 0.62
▸ OPRK1 P41145 5/20 0.46
▸ NMT1 P30419 2/20 0.45
▸ BRS3 P32247 2/20 0.43
▸ OPRM1 P35372 3/20 0.42
▸ OPRD1 P41143 3/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ MEF2D Q14814 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ PRKG1 Q13976 1/20 0.40
▸ PKN1 Q16512 1/20 0.40
▸ PKN2 Q16513 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.40
▸ CDC42BPA Q5VT25 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
SCHEMBL12735777 0.83 HRH1 (0.57) HRH1CHEK2
SCHEMBL6290059 0.81 HRH1 (0.59) HRH1NMT1ROCK2PRKACAPRKCD
SCHEMBL12735785 0.79 OPRK1 (0.61) HRH1OPRK1OPRM1OPRD1KCNH2
SCHEMBL13357674 0.79 ROCK1 (0.56) ROCK1
SCHEMBL14624277 0.79 HRH1 (0.59) HRH1NMT1
SCHEMBL6290057 0.79 HRH1 (0.59) HRH1NMT1ROCK2PRKACAPRKCD
SCHEMBL22365344 0.77 HRH1 (0.58) HRH1NMT1
SCHEMBL12985373 0.77 HRH1 (0.53) HRH1OPRK1OPRM1OPRD1KCNH2
SCHEMBL19022928 0.76 HRH1 (0.56) HRH1NMT1
SCHEMBL14624276 0.76 HRH1 (0.56) HRH1NMT1

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 14 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
US-7919495-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 — — US 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-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-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-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-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
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 HRH1 14/4885OPRK1 84/4885NMT1 773/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 HRH1 10/4885OPRK1 27/4885NMT1 781/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 HRH1 10/4885OPRK1 30/4885NMT1 749/4885

“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.

Send feedback