SCHEMBL19681233

SCHEMBL19681233

CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CCCC(C)(C)C1)CNC1(/C=C\CCCCCCC1)C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.46
ALDH1A1 P00352 14/20 0.46
HPGD P15428 12/20 0.46
HSD17B10 Q99714 11/20 0.46
NPSR1 Q6W5P4 5/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 3/20 0.42
CYP1A2 P05177 1/20 0.38
USP2 O75604 4/20 0.38
RCE1 Q9Y256 1/20 0.38
LMNA P02545 3/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL19681193 0.72 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL19680997 0.69 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL21013029 0.62 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL19681211 0.61 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL19681173 0.56 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL19680996 0.56 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL23449215 0.54 CYP1A2 (0.41) KDM4EALDH1A1HPGDNPSR1MAPT
Ethyl Piperidinoacetylaminobenzoate SCHEMBL510837 0.54 ALDH1A1 (0.71) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL16085937 0.53 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL16085938 0.53 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294214-B2 Positive allosteric modulators of human melanocortin-4 receptor VANDERBILT UNIVERSITY (US) 2019-05-21 US disclosed
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-07 US 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-10294214-B2 Positive allosteric modulators of human melanocortin-4 receptor MC4R, MC1R, MC3R KDM4E 932/4885ALDH1A1 4735/4885HPGD 4184/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R KDM4E 932/4885ALDH1A1 4735/4885HPGD 4184/4885

“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.