SCHEMBL4800648

SCHEMBL4800648

CC(=O)NC(Cc1cc(C)c(N)c(Cl)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TACR1 P25103 2/20 0.44
CA2 P00918 3/20 0.43
ITGB3 P05106 3/20 0.43
ITGA2B P08514 2/20 0.43
GNPAT O15228 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB1 P05556 6/20 0.40
ITGA4 P13612 4/20 0.40
ITGAV P06756 2/20 0.40
ITGB7 P26010 2/20 0.40
ITGA5 P08648 1/20 0.40
ITGA2 P17301 1/20 0.40
FPR2 P25090 1/20 0.40
ITGB5 P18084 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL4800632 1.00 LMNA (0.45) LMNATACR1CA2ITGB3ITGA2B
SCHEMBL5229111 0.87 TACR1 (0.50) TACR1THRB
SCHEMBL4800958 0.87 TACR1 (0.50) TACR1THRB
SCHEMBL3517987 0.85 LMNA (0.46) LMNATACR1CA2ITGB3ITGA2B
SCHEMBL3517991 0.85 LMNA (0.46) LMNATACR1CA2ITGB3ITGA2B
SCHEMBL4800520 0.81 SLC7A5 (0.47) KDM4ETHRBALOX15PTGS2RECQL
SCHEMBL4800531 0.81 SLC7A5 (0.47) KDM4ETHRBALOX15PTGS2RECQL
SCHEMBL5144526 0.81 LMNA (0.50) LMNATACR1CA2ITGB3ITGA2B
SCHEMBL5144531 0.81 LMNA (0.50) LMNATACR1CA2ITGB3ITGA2B
SCHEMBL4799488 0.80 LMNA (0.52) LMNATACR1CA2ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
EP-1737842-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 US disclosed
WO-2005100343-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 WO 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA LMNA 850/4885TACR1 21/4885CA2 815/4885
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA LMNA 850/4885TACR1 21/4885CA2 815/4885

“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.