SCHEMBL19681183

SCHEMBL19681183

O=C(CN1CCC2(CCCC2)CC1)Nc1c(C(=O)C2CC2)[nH]c2c1CNCC21CCCCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
TSHR P16473 3/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 3/20 0.31
POLB P06746 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 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
SCHEMBL19681006 0.74 KDM4E (0.59) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL19667649 0.73 KDM4E (0.58) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL21013064 0.70 KDM4E (0.43) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL19681171 0.69 KDM4E (0.37) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL19681193 0.68 KDM4E (0.42) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL19681131 0.61 KDM4E (0.60) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL21013029 0.60 KDM4E (0.43) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL19681173 0.59 KDM4E (0.60) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL19681033 0.59 USP2 (0.48) KDM4ETSHRMAPK1ALDH1A1HSD17B10
SCHEMBL19681142 0.59 KDM4E (0.60) KDM4ETSHRMAPK1ALDH1A1HSD17B10

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 932/4885TSHR 34/4885MAPK1 2280/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R KDM4E 932/4885TSHR 34/4885MAPK1 2280/4885

“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.