SCHEMBL16627263

SCHEMBL16627263

CN1CCC(CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.48
HTR2B P41595 1/20 0.48
HTR2A P28223 14/20 0.45
TAS2R14 Q9NYV8 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 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
SCHEMBL16617023 0.85 KDM1A (0.49) HTR2CHTR2BTAS2R14KDM1A
SCHEMBL16627276 0.83 HTR2C (0.46) HTR2CHTR2BTAS2R14KDM1A
SCHEMBL16627265 0.80 HTR2A (0.70) HTR2CHTR2AL3MBTL1ALDH1A1GAA
SCHEMBL16627262 0.80 GPR119 (0.53) KDM1A
SCHEMBL16627293 0.77 HTR2A (0.51) HTR2CHTR2AL3MBTL1HRH3KDM1A
SCHEMBL16616595 0.74 EGLN1 (0.50) HRH3
SCHEMBL21339855 0.73 CYP19A1 (0.51) TAS2R14ALDH1A1
SCHEMBL3128462 0.72 CYP19A1 (0.45) TAS2R14KDM1A
SCHEMBL16627297 0.70 CYP19A1 (0.55) TAS2R14
SCHEMBL14136361 0.70 TAS2R14 (0.53) TAS2R14ALDH1A1

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 HTR2C 974/4885HTR2B 2427/4885HTR2A 693/4885

“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.