SCHEMBL17101208

SCHEMBL17101208

CCCCCCNCCNC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
EPHX1 P07099 8/20 0.53
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.43
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42

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
SCHEMBL25963877 1.00 MAOA (0.60) MAOAMAOBTDP1EPHX1CA12
SCHEMBL3086365 1.00 MAOA (0.60) MAOAMAOBTDP1EPHX1CA12
SCHEMBL25963905 1.00 MAOA (0.60) MAOAMAOBTDP1EPHX1CA12
SCHEMBL6528214 0.98 MAOA (0.58) MAOAMAOBTDP1EPHX1CA12
SCHEMBL26840517 0.95 TDP1 (0.67) MAOAMAOBTDP1EPHX1CA12
SCHEMBL13592519 0.95 TDP1 (0.67) MAOAMAOBTDP1EPHX1CA12
SCHEMBL26840523 0.95 TDP1 (0.67) MAOAMAOBTDP1EPHX1CA12
SCHEMBL14103937 0.95 TDP1 (0.67) MAOAMAOBTDP1EPHX1CA12
SCHEMBL28051430 0.95 TDP1 (0.67) MAOAMAOBTDP1EPHX1CA12
SCHEMBL24140974 0.93 MAOA (0.65) MAOAMAOBTDP1EPHX1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954211-B2 Chemical compounds ASTRAZENECA AB (SE) 2021-03-23 US disclosed
US-10954211-B2 Chemical compounds ASTRAZENECA AB (SE) 2021-03-23 US disclosed
US-20190330187-A1 Chemical Compounds ASTRAZENECA UK LIMITED (GB) 2019-10-31 US disclosed
US-20190330187-A1 Chemical Compounds ASTRAZENECA UK LIMITED (GB) 2019-10-31 US disclosed
US-10336725-B2 Chemical compounds ASTRAZENECA AB (SE) 2019-07-02 US disclosed
US-10336725-B2 Chemical compounds ASTRAZENECA AB (SE) 2019-07-02 US disclosed
US-20180162838-A1 Chemical Compounds ASTRAZENECA AB (SE) 2018-06-14 US disclosed
US-20180162838-A1 Chemical Compounds ASTRAZENECA AB (SE) 2018-06-14 US disclosed
US-20180162838-A1 Chemical Compounds ASTRAZENECA AB (SE) 2018-06-14 US disclosed
EP-3119752-B1 3,4-DIAMINO-6-CHLOROPYRAZINE-2-CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF ENAC MEDIATED DISEASES ASTRAZENECA AB (SE) 2018-05-16 EP disclosed
EP-3119752-B1 3,4-DIAMINO-6-CHLOROPYRAZINE-2-CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF ENAC MEDIATED DISEASES ASTRAZENECA AB (SE) 2018-05-16 EP disclosed
US-9873678-B2 Chemical compounds ASTRAZENECA AB (SE) 2018-01-23 US disclosed
US-9873678-B2 Chemical compounds ASTRAZENECA AB (SE) 2018-01-23 US disclosed
US-9873678-B2 Chemical compounds ASTRAZENECA AB (SE) 2018-01-23 US disclosed
US-20170107195-A1 Chemical Compounds ASTRAZENECA AB (SE) 2017-04-20 US disclosed
US-20170107195-A1 Chemical Compounds ASTRAZENECA AB (SE) 2017-04-20 US disclosed
US-20170107195-A1 Chemical Compounds ASTRAZENECA AB (SE) 2017-04-20 US disclosed
EP-3119752-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2017-01-25 EP disclosed
WO-2015140527-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2015-09-24 WO disclosed
WO-2015140527-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2015-09-24 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 (5 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-20170107195-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A MAOA 2675/4885MAOB 3136/4885TDP1 4701/4885
US-10336725-B2 Chemical compounds CFTR, SCNN1B, SCNN1A MAOA 2675/4885MAOB 3136/4885TDP1 4701/4885
US-20180162838-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A MAOA 2675/4885MAOB 3136/4885TDP1 4701/4885
US-10954211-B2 Chemical compounds CFTR, SCNN1B, SCNN1A MAOA 2675/4885MAOB 3136/4885TDP1 4701/4885
US-20190330187-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A MAOA 2675/4885MAOB 3136/4885TDP1 4701/4885

“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.