SCHEMBL16625313

SCHEMBL16625313

CC(C)N1CCC(N(C)C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
KCNH2 Q12809 1/20 0.43
BRD4 O60885 1/20 0.41
TAF1 P21675 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
CCR5 P51681 2/20 0.39
PDK2 Q15119 2/20 0.39
JAK1 P23458 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
USP30 Q70CQ3 1/20 0.37
MCHR1 Q99705 3/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL16625305 0.87 MCHR1 (0.43) HRH3BRD4TAF1CECR2CCR5
SCHEMBL28511552 0.87 P4HB (0.42) PDK2NPC1RAB9AALDH1A1ALOX15
SCHEMBL16625307 0.83 MCHR1 (0.52) HRH3CCR5USP30MCHR1
SCHEMBL28499994 0.81 HSD11B1 (0.43) PDK2JAK1NPC1RAB9AUSP30
SCHEMBL28499992 0.81 HSD11B1 (0.43) PDK2JAK1NPC1RAB9AUSP30
SCHEMBL28906215 0.81 HSD11B1 (0.43) PDK2JAK1NPC1RAB9AUSP30
SCHEMBL16625316 0.80 USP30 (0.57) USP30
SCHEMBL16625306 0.80 MCHR1 (0.42) HRH3CCR5USP30MCHR1ALDH1A1
SCHEMBL17888402 0.79 PDK2 (0.57) HRH3KCNH2BRD4TAF1CECR2
SCHEMBL16625315 0.79 MCHR1 (0.45) HRH3KCNH2NPC1RAB9AUSP30

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-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-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
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 HRH3 3405/4885KCNH2 3942/4885BRD4 160/4885

“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.