SCHEMBL12736038

SCHEMBL12736038

CC(C)(C)OC(=O)N1CCC(CCc2cccc(C(=O)N3CCCC3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ RIN1 Q13671 1/20 0.52
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ TGFBR1 P36897 1/20 0.46
▸ CRBN Q96SW2 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ STS P08842 1/20 0.44
▸ L3MBTL3 Q96JM7 1/20 0.44

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
SCHEMBL12736039 0.99 ABL1 (0.53) KDM4EPKMABL1RIN1MEN1
SCHEMBL1532734 0.88 KDM4E (0.57) KDM4EPKMMEN1KMT2ATGFBR1
SCHEMBL1532900 0.87 KDM4E (0.54) KDM4EPKMMEN1KMT2ATGFBR1
SCHEMBL12736048 0.87 ABL1 (0.61) KDM4EPKMABL1RIN1MEN1
SCHEMBL1532753 0.86 KDM4E (0.55) KDM4EPKMTGFBR1STSGPR119
SCHEMBL12736017 0.85 KDM4E (0.55) KDM4EPKMNPC1RAB9AALDH1A1
SCHEMBL15062230 0.85 KDM4E (0.57) KDM4EPKMKMT2ATGFBR1STS
SCHEMBL15062240 0.85 KDM4E (0.52) KDM4EPKMMEN1KMT2ASMN1; SMN2
SCHEMBL12736035 0.85 GPR119 (0.58) KDM4EPKMMEN1KMT2ATGFBR1
SCHEMBL15310435 0.84 L3MBTL3 (0.50) PKMMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919494-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-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-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-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
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 KDM4E 1156/4885PKM 2212/4885ABL1 3459/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 KDM4E 818/4885PKM 2674/4885ABL1 3106/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 KDM4E 838/4885PKM 2727/4885ABL1 3093/4885

“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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