SCHEMBL16625306

SCHEMBL16625306

CN1CC(N(C)C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.42
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
P4HB P07237 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
USP30 Q70CQ3 2/20 0.38
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F2 P00734 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CCR5 P51681 1/20 0.35

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
SCHEMBL16625307 0.93 MCHR1 (0.52) MCHR1HRH3USP30CCR5
SCHEMBL16625315 0.91 MCHR1 (0.45) MCHR1HRH3ALDH1A1ALOX15USP30
SCHEMBL16625305 0.88 MCHR1 (0.43) MCHR1HRH3ALDH1A1USP30CCR5
SCHEMBL28511552 0.87 P4HB (0.42) ALDH1A1ALOX15P4HBCA1CA2
SCHEMBL28906215 0.81 HSD11B1 (0.43) ALDH1A1ALOX15P4HBCA1CA2
SCHEMBL28499992 0.81 HSD11B1 (0.43) ALDH1A1ALOX15P4HBCA1CA2
SCHEMBL28499994 0.81 HSD11B1 (0.43) ALDH1A1ALOX15P4HBCA1CA2
SCHEMBL16625313 0.80 HRH3 (0.47) MCHR1HRH3ALDH1A1ALOX15USP30
SCHEMBL28517222 0.79 P4HB (0.42) ALDH1A1P4HBCA1CA2CA9
SCHEMBL16625309 0.79 USP30 (0.66) USP30

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 MCHR1 4692/4885HRH3 3405/4885ALDH1A1 1976/4885

“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.