SCHEMBL16625307

SCHEMBL16625307

CN1CCC(N(C)C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.52
HRH3 Q9Y5N1 2/20 0.48
USP30 Q70CQ3 2/20 0.42
CCR5 P51681 1/20 0.40
RHEB Q15382 1/20 0.39
POLR1A O95602 1/20 0.39

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
SCHEMBL16625315 0.93 MCHR1 (0.45) MCHR1HRH3USP30
SCHEMBL16625305 0.93 MCHR1 (0.43) MCHR1HRH3USP30CCR5
SCHEMBL16625306 0.93 MCHR1 (0.42) MCHR1HRH3USP30CCR5
SCHEMBL28511552 0.85 P4HB (0.42)
SCHEMBL16625313 0.83 HRH3 (0.47) MCHR1HRH3USP30CCR5
SCHEMBL16625310 0.82 MCHR1 (0.39) MCHR1
SCHEMBL16625309 0.81 USP30 (0.66) USP30
SCHEMBL16625311 0.81 LIMK2 (0.41) MCHR1
SCHEMBL28499994 0.80 HSD11B1 (0.43) USP30
SCHEMBL28499992 0.80 HSD11B1 (0.43) USP30

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MCHR1 4692/4885HRH3 3405/4885USP30 3539/4885

“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.