SCHEMBL2165651

SCHEMBL2165651

CCC(=O)NC(=Cc1cc(C)c(N)c(C)c1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RECQL P46063 1/20 0.31
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL1206816 0.92 TSHR (0.38) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4497968 0.87 F2 (0.34) ALDH1A1KDM4EMAPTTP53
SCHEMBL3091267 0.84 MEN1 (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3091281 0.84 MEN1 (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3091278 0.84 MEN1 (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2165527 0.83 NOS3 (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4799478 0.77 MCL1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4799490 0.77 MCL1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14135332 0.76 AKR1C3 (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2166988 0.75 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA

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-7985747-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-26 — — US disclosed
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 — — US disclosed
US-7700598-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-20 — — US disclosed
US-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-09 — — 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 (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-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ALDH1A1 1335/4885KDM4E 3751/4885MAPT 972/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ALDH1A1 1335/4885KDM4E 3751/4885MAPT 972/4885

“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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