SCHEMBL3309475

SCHEMBL3309475

CCOC(=O)C1CN(C(=O)O)CCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.50
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
ATM Q13315 1/20 0.46
CACNA1A O00555 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNB1 Q02641 1/20 0.45
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL11147455 0.88 MEN1 (0.55) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL3306018 0.87 MEN1 (0.54) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL124103 0.87 L3MBTL1 (0.55) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL17913827 0.87 FKBP1A (0.47) POLBALDH1A1NPSR1CYP2C19
Hydrochloric Acid SCHEMBL2858521 0.86 L3MBTL1 (0.54) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL27619332 0.86 GPR119 (0.48) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL2769755 0.84 MEN1 (0.64) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL2863422 0.82 L3MBTL1 (0.58) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL29121706 0.82 GRM6 (0.49) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3407039 0.82 ALDH1A1 (0.52) MEN1KMT2APOLBALDH1A1KDM4E

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 MEN1 883/4885KMT2A 4776/4885POLB 2618/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 883/4885KMT2A 4776/4885POLB 2618/4885

“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.