SCHEMBL16207441

SCHEMBL16207441

O=C(c1cocn1)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
RIPK1 Q13546 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
PIK3CD O00329 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA4 P22748 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL31017961 0.82 HPGD (0.47) RIPK1PIK3CDSMN1; SMN2HPGDKMT2A
SCHEMBL22840281 0.77 RIPK1 (0.49) RIPK1PIK3CDSMN1; SMN2HPGDL3MBTL1
SCHEMBL584422 0.76 CHRNA4 (0.58)
SCHEMBL2521025 0.76 KDM4E (0.57) L3MBTL1KMT2A
SCHEMBL584502 0.73 CHRNA4 (0.60)
SCHEMBL22874812 0.73 PIK3CD (0.51) RIPK1PIK3CDSMN1; SMN2KMT2A
SCHEMBL7245767 0.71 GNE (0.62) SIGMAR1RXFP1SMN1; SMN2L3MBTL1MKNK1
SCHEMBL25270421 0.71 CHRNA4 (0.61) SIGMAR1RXFP1HPGDHSP90AA1CA12
SCHEMBL13532859 0.71 KDM4E (0.46) SIGMAR1RIPK1RXFP1HPGDHSP90AA1
SCHEMBL4820083 0.71 CYP3A4 (0.55) HPGDMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799435-B1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD (CN) 2018-03-28 EP disclosed
US-9187430-B2 Poly (ADP-ribose) polymerase inhibitor CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-11-17 US disclosed
US-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-02-19 US disclosed
CN-103130723-B Poly (aenosine diphosphate glucose pyrophospheralase (ADP)-ribose) polymerase inhibitor CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD 2015-01-14 CN disclosed
EP-2799435-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR Chengdu Di'ao Pharmaceutical Group Co. Ltd. (CN) 2014-11-05 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 (1 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-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR PARP1, PARP2, PARP11 SIGMAR1 4739/4885RIPK1 429/4885RXFP1 4346/4885

“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.