SCHEMBL19667345

SCHEMBL19667345

CC(C)(C)C1CCN(CC(=O)Nc2c(C(=O)C3CC3)[nH]c3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 18/20 0.58
HSD17B10 Q99714 12/20 0.58
HTT P42858 1/20 0.57
MAPK1 P28482 7/20 0.52
LMNA P02545 4/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TSHR P16473 4/20 0.49
USP2 O75604 2/20 0.49
HPGD P15428 5/20 0.49
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 1/20 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
SCHEMBL19681142 0.88 KDM4E (0.60) KDM4EHSD17B10HTTMAPK1LMNA
SCHEMBL19681005 0.85 KDM4E (0.57) KDM4EHSD17B10HTTMAPK1LMNA
SCHEMBL19681131 0.85 KDM4E (0.60) KDM4EHSD17B10HTTMAPK1LMNA
SCHEMBL19681187 0.84 KDM4E (0.57) KDM4EHSD17B10HTTMAPK1LMNA
SCHEMBL19667649 0.83 KDM4E (0.58) KDM4EHSD17B10HTTMAPK1LMNA
SCHEMBL19681006 0.82 KDM4E (0.59) KDM4EHSD17B10HTTMAPK1LMNA
SCHEMBL19681242 0.81 KDM4E (0.56) KDM4EHSD17B10HTTMAPK1LMNA
SCHEMBL19681173 0.80 KDM4E (0.60) KDM4EHSD17B10HTTMAPK1LMNA
SCHEMBL19681156 0.80 MAPT (0.65) KDM4EHSD17B10HTTMAPK1LMNA
SCHEMBL19667582 0.77 KDM4E (0.51) KDM4EHSD17B10HTTMAPK1LMNA

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
US-10294214-B2 Positive allosteric modulators of human melanocortin-4 receptor VANDERBILT UNIVERSITY (US) 2019-05-21 US disclosed
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
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 932/4885HSD17B10 4416/4885HTT 874/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R KDM4E 932/4885HSD17B10 4416/4885HTT 874/4885

“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.