SCHEMBL22000597

SCHEMBL22000597

COc1ccccc1[C@@H](O)[C@H]1CCC2C(=O)N(Cc3cccc4ccccc34)C(=O)C2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNKP Q96T60 8/20 1.00
▸ HCRTR1 O43613 3/20 0.44
▸ HCRTR2 O43614 3/20 0.44
▸ USP2 O75604 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ XIAP P98170 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL22000245 1.00 PNKP (1.00) PNKPHCRTR1HCRTR2USP2HSD17B10
SCHEMBL22000411 1.00 PNKP (1.00) PNKPHCRTR1HCRTR2USP2HSD17B10
SCHEMBL22000409 0.81 PNKP (0.68) PNKPHCRTR1HCRTR2USP2HSD17B10
SCHEMBL22000262 0.75 PNKP (0.60) PNKPUSP2HSD17B10KMT2AKDM4E
SCHEMBL22000254 0.73 PNKP (1.00) PNKPHCRTR1HCRTR2USP2HSD17B10
SCHEMBL22000400 0.69 PNKP (1.00) PNKP
SCHEMBL22000401 0.69 PNKP (1.00) PNKP
SCHEMBL22000425 0.66 PNKP (0.71) PNKPHCRTR1HCRTR2USP2HSD17B10
SCHEMBL11405630 0.61 MEN1 (0.69) HSD17B10MEN1KMT2AALDH1A1
SCHEMBL4369528 0.60 GAA (0.54) PNKPHCRTR1HCRTR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-05-14 — — 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-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE PNKP, PPM1A, PPM1B PNKP 1/4885HCRTR1 4839/4885HCRTR2 4807/4885

“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.

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