SCHEMBL16616370

SCHEMBL16616370

CC(C)(C)OC(=O)N1CC2=CN(Cc3ccc(C#N)cc3)C[C@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.46
EGLN2 Q96KS0 3/20 0.39
PREP P48147 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
AR P10275 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
CYP2C9 P11712 2/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TAOK3 Q9H2K8 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 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
SCHEMBL585044 0.86 GPR119 (0.43) GPR119PREPTAOK3KMT2AMAPT
SCHEMBL16616368 0.76 GPR119 (0.50) GPR119EGLN2CYP3A4CYP2C19ALDH1A1
SCHEMBL3966572 0.75 NR1H2 (0.37) GPR119PREPALDH1A1DPP4TAOK3
SCHEMBL15601524 0.75 GPR119 (0.54) GPR119EGLN2AR
SCHEMBL6363450 0.74 ALDH1A1 (0.43) GPR119ALDH1A1DPP4
SCHEMBL1066770 0.74 CYP3A4 (0.60) GPR119EGLN2CYP3A4CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL28007262 0.74 GPR119 (0.53) GPR119EGLN2AR
SCHEMBL3121813 0.73 GPR119 (0.48) GPR119EGLN2CYP3A4CYP2C19ALDH1A1
SCHEMBL16627124 0.73 GPR119 (0.62) GPR119EGLN2CYP3A4CYP2C19ALDH1A1
SCHEMBL16627269 0.73 CYP3A4 (0.56) GPR119CYP3A4CYP2C19ALDH1A1MAPK1

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 GPR119 2578/4885EGLN2 415/4885PREP 2260/4885

“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.