SCHEMBL23748832

SCHEMBL23748832

CC(C)(C)OC(=O)N1CCC(c2cc3ccccc3[nH]c2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
CALCRL Q16602 8/20 0.49
PDE10A Q9Y233 1/20 0.48
RBP4 P02753 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
RAMP1 O60894 1/20 0.46
HPGDS O60760 1/20 0.46
VCP P55072 1/20 0.45
NAMPT P43490 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
SCHEMBL3141500 0.85 KDM4E (0.58) KDM4EMAPTTHRBPDE10AGPR119
SCHEMBL12622802 0.85 RBP4 (0.50) KDM4ECALCRLRBP4
SCHEMBL5745535 0.82 RBP4 (0.51) KDM4ECALCRLRBP4
SCHEMBL29872305 0.81 RBP4 (0.50) KDM4ECALCRLRBP4
SCHEMBL30851884 0.80 KDM4E (0.49) KDM4EMAPTTHRBGPR119HPGDS
SCHEMBL30852213 0.79 PDE10A (0.54) KDM4EMAPTTHRBPDE10AGPR119
SCHEMBL23564700 0.79 AKR1C3 (0.45) CALCRLRBP4
SCHEMBL13313599 0.78 HRH4 (0.49) CALCRLRBP4VCP
SCHEMBL30851642 0.78 KDM4E (0.49) KDM4EMAPTTHRBPDE10AGPR119
SCHEMBL992227 0.77 HTR2B (0.59) MAPTPDE10AHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030868-B2 Prodrugs of CGRP antagonists PFIZER IRELAND PHARMACEUTICALS (IE) 2024-07-09 US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
EP-3863629-A1 PRODRUGS OF CGRP ANTAGONISTS Biohaven Pharmaceutical Holding Company Ltd. (US) 2021-08-18 EP 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-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS CALCRL, CALCA, CALCB KDM4E 2986/4885MAPT 2748/4885THRB 918/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB KDM4E 2986/4885MAPT 2748/4885THRB 918/4885

“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.