SCHEMBL16627301

SCHEMBL16627301

CC1CN(Cc2ccc(C#N)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.50
CCR1 P32246 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AR P10275 1/20 0.45
CHRM4 P08173 3/20 0.45
MLNR O43193 4/20 0.43
CYP2C9 P11712 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
CYP2D6 P10635 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL2768082 0.87 MLNR (0.66) GPR119CCR1CYP3A4CYP2C19ALDH1A1
SCHEMBL29269208 0.86 CCR1 (0.47) GPR119CCR1
SCHEMBL29269210 0.86 CCR1 (0.47) GPR119CCR1
SCHEMBL29269207 0.86 CCR1 (0.47) GPR119CCR1
SCHEMBL13954897 0.85 CCR1 (0.59) CCR1
SCHEMBL377466 0.85 CCR1 (0.46) GPR119CCR1
SCHEMBL377822 0.85 CCR1 (0.46) GPR119CCR1
SCHEMBL16627299 0.85 GPR119 (0.50) GPR119CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL3664004 0.85 MGLL (0.49) GPR119CCR1CHRM4
SCHEMBL3664002 0.85 MGLL (0.49) GPR119CCR1CHRM4

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 2578/4885CCR1 4263/4885CYP3A4 2501/4885

“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.