SCHEMBL3306996

SCHEMBL3306996

CCOC(=O)C1CN(C(=O)O)CCN1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL19617775 0.87 MAPT (0.33) MAPT
SCHEMBL1760819 0.84 MAPT (0.55) MAPTALDH1A1TSHRKDM4EGAA
SCHEMBL29713916 0.82 ALDH1A1 (0.41) MAPTALDH1A1TSHRKDM4E
SCHEMBL13954409 0.82 ALDH1A1 (0.41) MAPTALDH1A1TSHRKDM4E
SCHEMBL337013 0.82 ALDH1A1 (0.41) MAPTALDH1A1TSHRKDM4E
SCHEMBL5599503 0.82 ITGB2 (0.36) MAPTALDH1A1
SCHEMBL28451158 0.82 ITGB2 (0.36) MAPTALDH1A1
SCHEMBL7660403 0.81 SIGMAR1 (0.48) ALDH1A1TSHRKDM4EGAA
SCHEMBL1207220 0.81 MAPT (0.37) MAPTALDH1A1KDM4E
SCHEMBL3309610 0.81 MAPT (0.37) MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MAPT 721/4885ALDH1A1 1380/4885TSHR 419/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MAPT 721/4885ALDH1A1 1380/4885TSHR 419/4885

“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.