SCHEMBL4186965

SCHEMBL4186965

CCOC(=O)c1cc(C(C)C)[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.60
HCAR2 Q8TDS4 1/20 0.60
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
CYP1A2 P05177 1/20 0.45
PDE4D Q08499 1/20 0.44
KDM5A P29375 4/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL19763766 0.89 KMT2A (0.49) HCAR3HCAR2KMT2ANPSR1L3MBTL1
SCHEMBL19763764 0.89 KMT2A (0.49) HCAR3HCAR2KMT2ANPSR1L3MBTL1
SCHEMBL20515889 0.89 KMT2A (0.49) HCAR3HCAR2KMT2ANPSR1L3MBTL1
SCHEMBL28934823 0.88 POLB (0.48) HCAR3HCAR2KMT2ANPSR1L3MBTL1
SCHEMBL4178432 0.86 KMT2A (0.49) HCAR3HCAR2KMT2ANPSR1L3MBTL1
SCHEMBL24428117 0.85 KMT2A (0.46) HCAR3HCAR2KMT2ANPSR1L3MBTL1
SCHEMBL5599411 0.84 KMT2A (0.48) HCAR3HCAR2KMT2ANPSR1L3MBTL1
SCHEMBL29910437 0.82 POLB (0.44) HCAR3HCAR2KMT2ANPSR1L3MBTL1
SCHEMBL31088685 0.81 HCAR3 (0.66) HCAR3HCAR2KMT2AL3MBTL1POLB
SCHEMBL20284378 0.80 KMT2A (0.44) HCAR3HCAR2KMT2ANPSR1L3MBTL1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174886-B1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-02-17 EP disclosed
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 US disclosed
CN-106661043-B 2-oxa-5-azabicyclo [2.2.1] hept-3-yl derivatives 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed
US-10376494-B2 Carboxamide derivative and its diastereomers in stable crystalline form ORION CORPORATION (FI) 2019-08-13 US disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
US-20180319797-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-11-08 US disclosed
EP-3137459-B1 MORPHOLIN-PYRIDINE DERIVATIVES HAVING AFFINITY TO THE TAAR1 RECEPTOR HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed
US-9840501-B2 Morpholin-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-12-12 US disclosed
US-9790230-B2 2-oxa-5-azabicyclo[2.2.1]heptan-3-yl derivatives HOFFMANN-LA ROCHE INC. (US) 2017-10-17 US disclosed
EP-3174886-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-06-07 EP disclosed
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PFIZER INC. 2004-11-04 US disclosed
EP-1444009-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS Pfizer Products Inc. (US) 2004-08-11 EP disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
EP-1440073-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS Pfizer Limited (GB) 2004-07-28 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors FRYBURG DAVID A (US) 2004-02-05 US disclosed
US-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PFIZER INC. 2003-10-16 US disclosed
WO-2003037432-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-05-08 WO disclosed
WO-2003037899-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS PFIZER LIMITED (GB) 2003-05-08 WO disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (8 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-10376494-B2 Carboxamide derivative and its diastereomers in stable crystalline form AR, NR5A1, SHBG HCAR3 101/4885HCAR2 92/4885KMT2A 1457/4885
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 HCAR3 1984/4885HCAR2 1959/4885KMT2A 3158/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A HCAR3 3436/4885HCAR2 3979/4885KMT2A 1844/4885
US-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PDE9A, PDE2A, PDE3A HCAR3 316/4885HCAR2 147/4885KMT2A 3060/4885
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PDE9A, PDE2A, PDE12 HCAR3 2587/4885HCAR2 1162/4885KMT2A 2217/4885
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A HCAR3 2113/4885HCAR2 1033/4885KMT2A 2168/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 HCAR3 1984/4885HCAR2 1959/4885KMT2A 3158/4885
US-20180319797-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HCAR3 2125/4885HCAR2 2569/4885KMT2A 3397/4885

“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.