SCHEMBL16207693

SCHEMBL16207693

NC1(C(=O)N2CCNCC2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.50
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
CA2 P00918 2/20 0.45
CHKA P35790 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
DPP4 P27487 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
SIGMAR1 Q99720 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TPSAB1 Q15661 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
SCHEMBL15076715 0.92 DPP9 (0.50) HSD11B1DPP9DPP7CA2CHKA
SCHEMBL4071026 0.80 L3MBTL3 (0.42) HSD11B1DPP9DPP7CHRNB2CHRNA3
SCHEMBL10129621 0.77 MEN1 (0.46) HSD11B1L3MBTL1
SCHEMBL4059742 0.77 HRH3 (0.47) DPP9DPP7DPP4L3MBTL1
SCHEMBL5027628 0.76 HSD11B1 (0.39) HSD11B1DPP9DPP7L3MBTL1
SCHEMBL5031120 0.76 HSD11B1 (0.43) HSD11B1DPP9DPP7L3MBTL1
SCHEMBL22253826 0.76 HSD11B1 (0.50) HSD11B1DPP9DPP7EPHX2CYP1A2
SCHEMBL26767472 0.76 HSD11B1 (0.50) HSD11B1CA2CHKACA12CA1
SCHEMBL554873 0.76 DPP9 (0.37) HSD11B1DPP9DPP7CA2CHKA
Hydrochloric Acid SCHEMBL496002 0.75 MEN1 (0.44) HSD11B1L3MBTL1

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 4 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
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 HSD11B1 2217/4885DPP9 476/4885DPP7 217/4885

“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.