SCHEMBL16616596

SCHEMBL16616596

CC(C1CCNCC1)N(C)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
NSD2 O96028 4/20 0.40
PDK2 Q15119 1/20 0.40
KDM1A O60341 1/20 0.39
NSD3 Q9BZ95 1/20 0.39
P2RY14 Q15391 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GSK3B P49841 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
SCHEMBL27261240 0.83 OPRD1 (0.54) OPRD1SLC6A2SLC6A4
SCHEMBL16578992 0.78 EGLN1 (0.50) SLC6A2SLC6A4CA1CA2NSD2
SCHEMBL16616771 0.75 EGLN1 (0.53) P2RY14NPC1RAB9A
SCHEMBL9347148 0.70 CPN1 (0.38) OPRD1SLC6A2SLC6A4
SCHEMBL10933810 0.69 NSD2 (0.55) CA1CA2NSD2PDK2NPC1
SCHEMBL9279617 0.69 SLC6A3 (0.44) NSD2PDK2NSD3NPC1RAB9A
SCHEMBL9279621 0.69 SLC6A3 (0.44) NSD2PDK2NSD3NPC1RAB9A
SCHEMBL3941287 0.69 CPN1 (0.37) OPRD1SLC6A2SLC6A4
SCHEMBL7305662 0.69 GSK3B (0.47) CA1CA2NSD2PDK2NPC1
SCHEMBL7233087 0.68 OPRD1 (0.47) OPRD1SLC6A2SLC6A4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 OPRD1 1762/4885SLC6A2 4067/4885SLC6A4 3892/4885

“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.