SCHEMBL16627299

SCHEMBL16627299

CC1CN(Cc2ccc(C#N)cc2)CC(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.50
CYP3A4 P08684 3/20 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 1/20 0.45
DPP4 P27487 2/20 0.45
DPP8 Q6V1X1 1/20 0.45
CHRM2 P08172 1/20 0.44
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 2/20 0.42
USP2 O75604 2/20 0.42
FAAH O00519 1/20 0.41
MLNR O43193 2/20 0.41

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
SCHEMBL16627095 0.87 AR (0.47) GPR119CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL16627301 0.85 GPR119 (0.50) GPR119CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL31096238 0.85 GPR119 (0.42) GPR119
SCHEMBL377569 0.84 GBA1 (0.41) GPR119ALDH1A1
SCHEMBL1703945 0.84 KCNK3 (0.44) GPR119ALDH1A1MEN1KMT2AFAAH
SCHEMBL16616368 0.83 GPR119 (0.50) GPR119CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL1704169 0.83 HRH3 (0.44) CYP3A4MLNRDRD2
SCHEMBL4595783 0.83 HRH3 (0.44) CYP3A4MLNRDRD2
SCHEMBL11978840 0.82 HDAC1 (0.36) GPR119
SCHEMBL3660136 0.82 CHRM4 (0.41) GPR119CHRM4

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 2578/4885CYP3A4 2501/4885CYP2C19 3241/4885

“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.