SCHEMBL22000262

SCHEMBL22000262

COc1ccccc1[C@@H](O)[C@H]1CC[C@H]2C(=O)N(C/C=C/C=C\c3ccccc3)C(=O)[C@H]2N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNKP Q96T60 2/20 0.60
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ USP2 O75604 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ MCHR1 Q99705 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31

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 0.75 PNKP (1.00) PNKPUSP2HSD17B10ALDH1A1KDM4E
SCHEMBL22000597 0.75 PNKP (1.00) PNKPUSP2HSD17B10ALDH1A1KDM4E
SCHEMBL22000411 0.75 PNKP (1.00) PNKPUSP2HSD17B10ALDH1A1KDM4E
SCHEMBL19327249 0.64 ATM (0.46) DRD2DRD3TRPA1NFE2L2RAB9A
SCHEMBL11405630 0.60 MEN1 (0.69) HSD17B10ALDH1A1KMT2A
SCHEMBL19327277 0.59 ATM (0.47) PDE4APDE4BPDE4CPDE4DUSP2
SCHEMBL19327278 0.59 ATM (0.47) PDE4APDE4BPDE4CPDE4DUSP2
SCHEMBL4610694 0.57 CHRM2 (0.49) TSHRDRD2
SCHEMBL4610480 0.57 CHRM2 (0.49) TSHRDRD2
SCHEMBL10723277 0.55 LMNA (0.47) USP2TSHRDRD2DRD3SCN1A

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 1/4885PDE4A 467/4885PDE4B 668/4885

“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.

Send feedback