SCHEMBL77050

SCHEMBL77050

CN(C)C(=O)COC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
PMP22 Q01453 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL4012459 0.89 PDK2 (0.34) CD38GABRPGABRDGABRA1TSHR
SCHEMBL14759114 0.82 EPHX1 (0.36) CD38KDM4EALDH1A1CYP1A2L3MBTL1
SCHEMBL14759093 0.81 EPHX1 (0.39) CD38ALDH1A1EPHX1SMN1; SMN2
SCHEMBL3040923 0.79 SMYD3 (0.33) CD38KDM4EALDH1A1CYP1A2L3MBTL1
SCHEMBL3040925 0.79 SMYD3 (0.33) CD38KDM4EALDH1A1CYP1A2L3MBTL1
SCHEMBL13716788 0.79 GABRA5 (0.37) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL18502850 0.76 CD38 (0.38) CD38PDK2CYP11B1CYP11B2
SCHEMBL13223467 0.76 CD38 (0.38) CD38PDK2CYP11B1CYP11B2
SCHEMBL2008974 0.76 KMT2A (0.41) TSHRALDH1A1ITGB3ITGA2BSLC6A2
SCHEMBL18502887 0.76 CHRM3 (0.40) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380878-B1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO CO LTD (JP) 2013-08-14 EP disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
EP-2231638-A1 PHTHALAZINONE DERIVATIVES AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 WO disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 WO disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 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 (4 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-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM BMP2, BMP4, BMP1 CD38 3683/4885GABRP 1164/4885GABRD 1536/4885
US-20090192156-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA CD38 2273/4885GABRP 2489/4885GABRD 1990/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA CD38 2273/4885GABRP 2489/4885GABRD 1990/4885
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 CD38 1191/4885GABRP 3044/4885GABRD 3449/4885

“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.