SCHEMBL19681195

SCHEMBL19681195

O=C(CN1CCC(c2ccccc2)CC1)Nc1c(C(=O)C2CC2)[nH]c2ccc(N3CCOCC3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.49
ALDH1A1 P00352 10/20 0.49
HSD17B10 Q99714 9/20 0.49
HPGD P15428 9/20 0.49
MAPT P10636 9/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPK1 P28482 4/20 0.49
POLB P06746 3/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 2/20 0.44
TP53 P04637 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
USP2 O75604 2/20 0.42
CASP7 P55210 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
SCHEMBL19681191 0.86 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681005 0.85 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681031 0.83 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681242 0.81 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681243 0.80 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681146 0.76 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681202 0.75 TSHR (0.55) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681125 0.74 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681142 0.74 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681157 0.73 KDM4E (0.74) KDM4EALDH1A1HSD17B10HPGDMAPT

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