SCHEMBL19681031

SCHEMBL19681031

CC1(C)CCCN(CC(=O)Nc2c(C(=O)C3CC3)[nH]c3ccc(N4CCOCC4)cc23)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.57
KDM4E B2RXH2 17/20 0.57
HSD17B10 Q99714 14/20 0.57
HPGD P15428 13/20 0.57
MAPT P10636 7/20 0.57
NPSR1 Q6W5P4 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 2/20 0.57
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
HTT P42858 2/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 3/20 0.42
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL19681051 0.88 KDM4E (0.53) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19681191 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19681173 0.83 KDM4E (0.60) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19681195 0.83 KDM4E (0.49) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19681030 0.82 KDM4E (0.59) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19681146 0.75 KDM4E (0.59) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19681211 0.72 KDM4E (0.81) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19667649 0.69 KDM4E (0.58) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19681006 0.69 KDM4E (0.59) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL19681193 0.68 KDM4E (0.42) ALDH1A1KDM4EHSD17B10HPGDMAPT

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 ALDH1A1 4735/4885KDM4E 932/4885HSD17B10 4416/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R ALDH1A1 4735/4885KDM4E 932/4885HSD17B10 4416/4885

“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.