SCHEMBL4166609

SCHEMBL4166609

O=C(CCC1CCCN(C(=O)O)C1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.54
KDM4E B2RXH2 2/20 0.47
PREP P48147 1/20 0.46
FAP Q12884 1/20 0.46
ALDH1A1 P00352 6/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL27406245 0.83 ACKR3 (0.53) KMT2ABCHEACHEKDM4E
SCHEMBL4157854 0.82 ACHE (0.68) KMT2ABCHEACHEKDM4EALDH1A1
SCHEMBL7493236 0.80 KMT2A (0.69) KMT2ABCHEACHEKDM4EALDH1A1
SCHEMBL28946798 0.80 KMT2A (0.69) KMT2ABCHEACHEKDM4EALDH1A1
SCHEMBL2443481 0.79 KMT2A (0.68) KMT2ABCHEACHEKDM4EALDH1A1
SCHEMBL13912376 0.79 KMT2A (0.68) KMT2ABCHEACHEKDM4EALDH1A1
SCHEMBL22982640 0.78 TDP1 (0.50) BCHEALDH1A1LMNAMAPT
SCHEMBL22982883 0.78 TDP1 (0.50) BCHEALDH1A1LMNAMAPT
SCHEMBL13814798 0.77 BCHE (0.67) KMT2ABCHEACHEKDM4EALDH1A1
SCHEMBL31324479 0.77 TACR3 (0.62) KMT2AALDH1A1GAALMNAMAPT

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-20090143429-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists CRAWFORTH JAMES MICHAEL 2009-06-04 US disclosed
EP-1912967-A1 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2008-04-23 EP disclosed
WO-2007012900-A1 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2007-02-01 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 (1 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-20090143429-A1 Quinoline Derivatives as Neurokinin Receptor Antagonists TACR2, TACR1, TACR3 KMT2A 513/4885BCHE 2227/4885ACHE 657/4885

“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.