SCHEMBL5408170

SCHEMBL5408170

C[C@@H]1C[C@@H](CC(=O)NCc2ccccc2)c2ccccc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.55
SRC P12931 2/20 0.55
FUCA1 P04066 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.43
CREBBP Q92793 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5405011 1.00 EGFR (0.55) EGFRSRCFUCA1NPC1RAB9A
SCHEMBL5405002 1.00 EGFR (0.55) EGFRSRCFUCA1NPC1RAB9A
SCHEMBL5408177 1.00 EGFR (0.55) EGFRSRCFUCA1NPC1RAB9A
SCHEMBL5405005 1.00 EGFR (0.55) EGFRSRCFUCA1NPC1RAB9A
SCHEMBL1388643 0.71 EGFR (1.00) EGFRSRCFUCA1NPC1RAB9A
SCHEMBL18407439 0.71 AR (0.41) RAB9AKDM4EALDH1A1HSD17B10HTT
SCHEMBL30832651 0.68 ALDH1A1 (0.51) EGFRNPC1RAB9AGAAALDH1A1
SCHEMBL29208930 0.68 ALDH1A1 (0.51) EGFRNPC1RAB9AGAAALDH1A1
SCHEMBL3087061 0.68 GAA (0.73) RAB9AGAAALDH1A1HPGDHTT
SCHEMBL23004983 0.68 RAB9A (0.73) FUCA1NPC1RAB9APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists PFIZER INC 2007-08-23 US disclosed
US-7220760-B2 Quinoline derivatives as CRTH2 antagonists PFIZER INC. (US) 2007-05-22 US disclosed
EP-1556356-B1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER LAMBERT CO (US) 2006-05-31 EP disclosed
EP-1556356-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS Warner-Lambert Company LLC (US) 2005-07-27 EP disclosed
US-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis WARNER-LAMBERT COMPANY LLC 2004-07-08 US disclosed
EP-1435356-A1 Quinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-07-07 EP disclosed
WO-2004035543-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-04-29 WO disclosed
EP-1413306-A1 Tetrahydroquinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-04-28 EP 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-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis HRH1, HRH2, HRH4 EGFR 3769/4885SRC 4584/4885FUCA1 3849/4885
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists HRH2, HRH1, HRH3 EGFR 3933/4885SRC 4709/4885FUCA1 4338/4885

“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.