SCHEMBL3091267

SCHEMBL3091267

CC(=O)N/C(=C/c1cc(C)c(N)c(C)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MCL1 Q07820 1/20 0.39
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30

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
SCHEMBL3091281 1.00 MEN1 (0.42) MEN1KMT2AMCL1RECQLKDM4E
SCHEMBL3091278 1.00 MEN1 (0.42) MEN1KMT2AMCL1RECQLKDM4E
SCHEMBL4799490 0.91 MCL1 (0.46) MEN1KMT2AMCL1RECQLKDM4E
SCHEMBL4799478 0.91 MCL1 (0.46) MEN1KMT2AMCL1RECQLKDM4E
SCHEMBL3522311 0.86 MEN1 (0.34) MEN1KMT2AMCL1RECQLKDM4E
SCHEMBL3522307 0.86 MEN1 (0.34) MEN1KMT2AMCL1RECQLKDM4E
SCHEMBL3522308 0.86 MEN1 (0.34) MEN1KMT2AMCL1RECQLKDM4E
SCHEMBL2165651 0.84 ALDH1A1 (0.35) MEN1KMT2AMCL1RECQLKDM4E
SCHEMBL2165649 0.84 MEN1 (0.46) MEN1KMT2AMCL1KDM4EALDH1A1
SCHEMBL3087708 0.81 MEN1 (0.39) MEN1KMT2AMCL1RECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-16 — — US disclosed
US-7696196-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 — — US disclosed
US-20090111797-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — US disclosed
US-7491717-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-17 — — US disclosed
US-7479488-B2 Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-20 — — US disclosed
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — 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 (3 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-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 552/4885KMT2A 4658/4885MCL1 4483/4885
US-20090111797-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 552/4885KMT2A 4658/4885MCL1 4483/4885
US-20100234361-A1 SELECTED CGRP-ANTAGONISTS, PROCESS FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA MEN1 552/4885KMT2A 4658/4885MCL1 4483/4885

“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.

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