SCHEMBL19681191

SCHEMBL19681191

O=C(CN1CCC(C2CCCCC2)CC1)Nc1c(C(=O)C2CC2)[nH]c2ccc(N3CCOCC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
HPGD P15428 10/20 0.46
HSD17B10 Q99714 9/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 13/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GLA P06280 1/20 0.46
HTT P42858 4/20 0.45
TSHR P16473 4/20 0.45
POLB P06746 2/20 0.45
USP2 O75604 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 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
SCHEMBL19681146 0.89 KDM4E (0.59) ALDH1A1HPGDHSD17B10L3MBTL1KDM4E
SCHEMBL19681195 0.86 KDM4E (0.49) ALDH1A1HPGDHSD17B10L3MBTL1KDM4E
SCHEMBL19681031 0.84 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10L3MBTL1KDM4E
SCHEMBL19681040 0.83 KDM4E (0.62) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL19681131 0.82 KDM4E (0.60) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL19681033 0.81 USP2 (0.48) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL19681179 0.79 KDM4E (0.45) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL19681142 0.77 KDM4E (0.60) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL19681240 0.77 KDM4E (0.57) ALDH1A1HPGDHSD17B10L3MBTL1KDM4E
SCHEMBL19681051 0.73 KDM4E (0.53) ALDH1A1HPGDHSD17B10L3MBTL1KDM4E

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 4735/4885HPGD 4184/4885HSD17B10 4416/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R ALDH1A1 4735/4885HPGD 4184/4885HSD17B10 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.