SCHEMBL19681193

SCHEMBL19681193

CC1(C)CCCN(CC(=O)Nc2c(C(=O)C3CC3)[nH]c3c2CNC2(CCCCCCCCC2)C3)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.35
HTT P42858 2/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL21013029 0.80 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL19681173 0.74 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL19681233 0.72 KDM4E (0.46) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL19681030 0.70 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL19681171 0.69 KDM4E (0.37) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL19681031 0.68 ALDH1A1 (0.57) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL19681183 0.68 KDM4E (0.35) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL19681051 0.66 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL19681006 0.62 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL19667649 0.61 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2ATSHR

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 4735/4885MEN1 2188/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R KDM4E 932/4885ALDH1A1 4735/4885MEN1 2188/4885

“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.