SCHEMBL3565282

SCHEMBL3565282

CCOC(=O)C(=CN(C)C)C(=O)c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.42
F2R P25116 1/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
DHODH Q02127 1/20 0.42
PLIN1 O60240 1/20 0.42
POLB P06746 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HPGD P15428 2/20 0.40

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
SCHEMBL3565281 1.00 MEN1 (0.48) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL3570355 0.86 KMT2A (0.50) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL3570354 0.86 KMT2A (0.50) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6016645 0.85 MEN1 (0.57) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6016643 0.85 MEN1 (0.57) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL12108846 0.84 MEN1 (0.49) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL2953731 0.83 CYP11B1 (0.50) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL2953727 0.83 CYP11B1 (0.50) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL29398562 0.83 CYP11B1 (0.50) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL955148 0.83 CYP11B1 (0.52) MEN1KMT2AMAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 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
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 US disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 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 MEN1 2446/4885KMT2A 3043/4885MAPT 1159/4885

“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.