SCHEMBL3901573

SCHEMBL3901573

Cc1ccc2c(C(=O)O)ccc(C)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
OPRK1 P41145 1/20 0.49
KDM4A O75164 5/20 0.44
KDM4E B2RXH2 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
PKM P14618 3/20 0.42
MEN1 O00255 2/20 0.42
ABCC4 O15439 1/20 0.42
PTGS1 P23219 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL12170264 0.84 KDM4A (0.61) KMT2AOPRK1KDM4AKDM4ELMNA
SCHEMBL3901240 0.83 PPARA (0.49) KMT2AKDM4AKDM4ELMNAHTT
SCHEMBL17761056 0.83 EPRS1 (0.48) KMT2AOPRK1KDM4AKDM4ELMNA
SCHEMBL3899046 0.80 PDE4B (0.58) KMT2AKDM4EMEN1L3MBTL1ALDH1A1
SCHEMBL14252384 0.77 CYP1A2 (0.50) KDM4AKDM4EL3MBTL1ALDH1A1GABRP
SCHEMBL31186674 0.76 KMT2A (0.69) KMT2AOPRK1KDM4EHTTMEN1
SCHEMBL6177657 0.76 KMT2A (0.69) KMT2AOPRK1KDM4EHTTMEN1
SCHEMBL25096343 0.76 MAPT (0.50) KMT2AKDM4ELMNAHTTPKM
SCHEMBL16832654 0.76 KDM4E (0.62) KMT2AKDM4ELMNAHTTMEN1
SCHEMBL16798590 0.76 EPRS1 (0.45) KMT2AOPRK1KDM4AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725238-A4 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 EP claimed
EP-1725240-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-03-25 EP claimed
US-20070185148-A1 M3 muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US claimed
EP-1725238-A2 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP claimed
EP-1725240-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP claimed
WO-2005094251-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO claimed
WO-2005094834-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO claimed
EP-1725238-A4 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-04-01 EP disclosed
EP-1725240-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-03-25 EP disclosed
US-20070185090-A1 Muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185148-A1 M3 muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185148-A1 M3 muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185148-A1 M3 muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1725238-A2 M 3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
EP-1725240-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
WO-2005094251-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO disclosed
WO-2005094834-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 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-20070185148-A1 M3 muscarinic acetylchoine receptor antagonists CHRM3, CHRM2, CHRM5 KMT2A 2219/4885OPRK1 57/4885KDM4A 3970/4885
US-20070185090-A1 Muscarinic acetylchoine receptor antagonists CHRM3, CHRNG, CHRM2 KMT2A 2150/4885OPRK1 71/4885KDM4A 3758/4885

“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.