SCHEMBL16627293

SCHEMBL16627293

CN1CCC(N(C2CC2)S(=O)(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.51
HTR2C P28335 14/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KDM1A O60341 1/20 0.45

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
SCHEMBL16627265 0.86 HTR2A (0.70) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL16627263 0.77 HTR2C (0.48) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL16627296 0.70 HSD11B1 (0.62) L3MBTL1GAAKDM1A
SCHEMBL16627264 0.70 ATM (0.63) L3MBTL1GAA
SCHEMBL19013838 0.70 HSD11B1 (0.47) L3MBTL1GAAHRH3
SCHEMBL16578852 0.69 SMO (0.53) HRH3
SCHEMBL13880078 0.69 HTR2A (0.51) HTR2AHTR2CALDH1A1HRH3
SCHEMBL2224520 0.68 TSHR (0.60) ALDH1A1
SCHEMBL10077961 0.67 HRH3 (0.58) HRH3
SCHEMBL21887537 0.67 JAK2 (0.54) HRH3KDM1A

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 HTR2A 693/4885HTR2C 974/4885L3MBTL1 1629/4885

“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.