SCHEMBL19681016

SCHEMBL19681016

COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cccc(C)c2C)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.82
NPSR1 Q6W5P4 5/20 0.82
TSHR P16473 3/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
GAA P10253 2/20 0.82
GFER P55789 1/20 0.82
KDM4E B2RXH2 16/20 0.75
HSD17B10 Q99714 13/20 0.75
ALDH1A1 P00352 13/20 0.75
HPGD P15428 11/20 0.75
SMN1; SMN2 Q16637 6/20 0.75
MAPK1 P28482 5/20 0.75
HTT P42858 4/20 0.75
POLB P06746 2/20 0.75
LMNA P02545 5/20 0.72
TP53 P04637 2/20 0.70
GLA P06280 1/20 0.70
USP2 O75604 5/20 0.70
CASP7 P55210 1/20 0.70

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
SCHEMBL19681156 0.78 MAPT (0.65) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL19681044 0.78 KDM4E (0.77) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL19680989 0.76 KDM4E (0.81) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL19681017 0.75 KDM4E (0.85) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL18825288 0.73 KDM4E (0.82) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL30585535 0.73 KDM4E (0.82) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL19681002 0.73 KDM4E (0.78) MAPTNPSR1TSHRKDM4EHSD17B10
SCHEMBL18825285 0.72 USP2 (0.72) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL30585550 0.72 USP2 (0.72) MAPTNPSR1TSHRMEN1KMT2A
SCHEMBL13856579 0.70 ALDH1A1 (1.00) MAPTNPSR1TSHRMEN1KMT2A

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 MAPT 1844/4885NPSR1 314/4885TSHR 34/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R MAPT 1844/4885NPSR1 314/4885TSHR 34/4885

“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.