SCHEMBL3557341

SCHEMBL3557341

CCCNC(=O)C(=O)Cc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.54
CYP2D6 P10635 1/20 0.54
CHRM1 P11229 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
PLAAT3 P53816 2/20 0.52
PLAAT5 Q96KN8 2/20 0.52
PLAAT2 Q9NWW9 2/20 0.52
PLAAT4 Q9UL19 2/20 0.52
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
HTT P42858 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL3571134 0.87 NPC1 (0.50) CHRM2CYP2D6CHRM1ADRA2CCHRM3
SCHEMBL3574091 0.83 CTBP2 (0.47) HTTNPC1RAB9AALDH1A1CTBP2
SCHEMBL3562189 0.81 RIPK1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3571213 0.77 CES2 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4L3MBTL1
SCHEMBL10998260 0.77 GLS (0.55) CHRM2CYP2D6CHRM1ADRA2CCHRM3
SCHEMBL13442802 0.75 HTT (0.64) CYP2D6HTTNPC1RAB9AALDH1A1
SCHEMBL16715933 0.75 BCHE (0.53) CHRM2CYP2D6CHRM1ADRA2CCHRM3
SCHEMBL3567236 0.74 PLAAT3 (0.54) CYP2D6PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8441394 0.73 KMT2A (0.58) CYP2D6HTTNPC1RAB9AALDH1A1
SCHEMBL7644730 0.73 NPC1 (0.49) CYP2D6NPC1RAB9AALDH1A1CTBP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742904-B1 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2012-10-31 EP disclosed
US-7825278-B2 Substituted enaminones, their derivatives and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-02 US disclosed
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US disclosed
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 EP disclosed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 EP disclosed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 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-20080064748-A1 Substituted enaminones, their derivatives and uses thereof GABRB2, GABRB1, GABRB3 CHRM2 726/4885CYP2D6 1122/4885CHRM1 606/4885

“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.