SCHEMBL22473034

SCHEMBL22473034

CCC(C)OC1CCN(C(C)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
MAPT P10636 1/20 0.38
EPHX2 P34913 5/20 0.37
EPHX1 P07099 2/20 0.37
DPP4 P27487 6/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL21204651 0.90 DPP4 (0.37) PIK3CDMAPTDPP4DPP8DPP9
SCHEMBL8301445 0.82 PIK3CD (0.41) PIK3CDEPHX2EPHX1CYP1A2TDP1
SCHEMBL26352077 0.80 HPGD (0.48) MAPTEPHX1DPP4
SCHEMBL21204571 0.79 PIK3CD (0.34) PIK3CDMAPTDPP4DPP8DPP9
SCHEMBL19322325 0.77 PIK3CD (0.37) PIK3CDCYP1A2TDP1
SCHEMBL14403745 0.77 EPHX2 (0.41) PIK3CDEPHX2EPHX1CYP1A2TDP1
SCHEMBL23133949 0.76 HTR4 (0.42) PIK3CDMAPT
SCHEMBL21311517 0.76 HRH3 (0.44)
SCHEMBL6379934 0.74
SCHEMBL11915746 0.74

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-20230054782-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES MERCK SHARP & DOHME LLC (US) 2023-02-23 US disclosed
US-10787434-B2 Benzopiperdine derivatives and their use in the treatment of cancer and hemoglobinopathies CTXT PTY, LTD (AU) 2020-09-29 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 (2 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-10787434-B2 Benzopiperdine derivatives and their use in the treatment of cancer and hemoglobinopathies HBB, HBG2, HBZ PIK3CD 3459/4885MAPT 4850/4885EPHX2 1192/4885
US-20230054782-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES ZC3HAV1, HDAC11, CXCR1 PIK3CD 3374/4885MAPT 3926/4885EPHX2 807/4885

“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.