SCHEMBL19681044

SCHEMBL19681044

COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 18/20 0.77
HSD17B10 Q99714 17/20 0.77
ALDH1A1 P00352 13/20 0.77
HPGD P15428 12/20 0.77
MAPT P10636 8/20 0.77
MAPK1 P28482 5/20 0.77
USP2 O75604 5/20 0.77
CASP7 P55210 2/20 0.77
SMN1; SMN2 Q16637 7/20 0.75
HTT P42858 5/20 0.71
POLB P06746 2/20 0.71
LMNA P02545 5/20 0.62
NPSR1 Q6W5P4 4/20 0.62
TP53 P04637 1/20 0.62
GLA P06280 1/20 0.62
TSHR P16473 3/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
PSMD14 O00487 1/20 0.59
PTK2B Q14289 1/20 0.59

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
SCHEMBL19680991 0.91 KDM4E (0.71) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL19681163 0.90 KDM4E (0.72) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL19681161 0.81 KDM4E (0.57) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL30585535 0.78 KDM4E (0.82) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL18825288 0.78 KDM4E (0.82) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL19680983 0.78 KDM4E (0.74) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL19681016 0.78 MAPT (0.82) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL19681157 0.78 KDM4E (0.74) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL19681153 0.77 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL19681145 0.76 KDM4E (0.71) KDM4EHSD17B10ALDH1A1HPGDMAPT

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.