SCHEMBL19681173

SCHEMBL19681173

CC1(C)CCCN(CC(=O)Nc2c(C(=O)C3CC3)[nH]c3ccccc23)C1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.60
HSD17B10 Q99714 10/20 0.60
ALDH1A1 P00352 5/20 0.60
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HPGD P15428 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
TSHR P16473 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 1/20 0.57
LMNA P02545 4/20 0.54
GAA P10253 1/20 0.50
MAPK1 P28482 6/20 0.48
POLB P06746 1/20 0.48
USP2 O75604 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL19681030 0.86 KDM4E (0.59) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL19667649 0.85 KDM4E (0.58) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL19681006 0.84 KDM4E (0.59) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL19681031 0.83 ALDH1A1 (0.57) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL19681142 0.82 KDM4E (0.60) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL19681131 0.81 KDM4E (0.60) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL19681005 0.81 KDM4E (0.57) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL19681187 0.80 KDM4E (0.57) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL19667345 0.80 KDM4E (0.58) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL19681051 0.80 KDM4E (0.53) KDM4EHSD17B10ALDH1A1MAPTSMN1; 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 932/4885HSD17B10 4416/4885ALDH1A1 4735/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R KDM4E 932/4885HSD17B10 4416/4885ALDH1A1 4735/4885

“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.