SCHEMBL4065635

SCHEMBL4065635

CCCC(=O)c1ccc2c(c1)CCNCC2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.51
ACHE P22303 1/20 0.51
HPGD P15428 3/20 0.48
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
HSD17B3 P37058 1/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
MELK Q14680 1/20 0.45
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 1/20 0.42
NPC1 O15118 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
SCHEMBL4563267 0.91 HPGD (0.46) MCHR1ACHEHPGDCTNNB1WNT3A
SCHEMBL14500207 0.84 ACHE (0.47) MCHR1ACHECTNNB1WNT3AHTR2C
SCHEMBL14500728 0.82 ITGB3 (0.46) MCHR1ACHECTNNB1WNT3AHTR2C
SCHEMBL4851948 0.81 MCHR1 (0.55) MCHR1ACHECTNNB1WNT3AHTR2C
SCHEMBL14499888 0.80 MCHR1 (0.45) MCHR1ACHECTNNB1WNT3AHTR2C
SCHEMBL11807250 0.80 ALDH1A1 (0.57) ACHEHPGDHSD17B3DRD2ALDH1A1
SCHEMBL14499889 0.79 ACHE (0.47) MCHR1ACHECTNNB1WNT3AHTR2C
SCHEMBL1790024 0.78 NPC1 (0.56) HTR2CHTR2BMELKRAB9AALDH1A1
SCHEMBL5453442 0.78 MCHR1 (0.45) MCHR1ACHEHPGDHTR2CDRD2
SCHEMBL14500218 0.78 MCHR1 (0.61) MCHR1ACHECTNNB1WNT3AALDH1A1

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
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
EP-1725240-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP 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 (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-20070185090-A1 Muscarinic acetylchoine receptor antagonists CHRM3, CHRNG, CHRM2 MCHR1 152/4885ACHE 62/4885HPGD 439/4885

“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.