SCHEMBL19681179

SCHEMBL19681179

O=C(CN1CCC(C2CCCCC2)CC1)Nc1c(C(=O)C2CC2)[nH]c2ccncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.45
HTT P42858 4/20 0.45
USP2 O75604 4/20 0.44
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTNNB1 P35222 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 13/20 0.44
ALDH1A1 P00352 9/20 0.44
HPGD P15428 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 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
SCHEMBL19681185 0.89 KDM4E (0.47) KDM4EHTTUSP2TSHRTP53
SCHEMBL21013064 0.87 KDM4E (0.43) KDM4EHTTUSP2TSHRTP53
SCHEMBL19681131 0.86 KDM4E (0.60) KDM4EHTTUSP2TSHRTP53
SCHEMBL19681243 0.85 KDM4E (0.46) KDM4EHTTUSP2TSHRPOLB
SCHEMBL19681202 0.83 TSHR (0.55) KDM4EHTTUSP2TSHRTP53
SCHEMBL19681040 0.83 KDM4E (0.62) KDM4EHTTUSP2TSHRTP53
SCHEMBL19681033 0.83 USP2 (0.48) KDM4EHTTUSP2TSHRTP53
SCHEMBL19681142 0.81 KDM4E (0.60) KDM4EHTTUSP2TSHRTP53
SCHEMBL19681191 0.79 ALDH1A1 (0.46) KDM4EHTTUSP2TSHRTP53
SCHEMBL19681018 0.76 KDM4E (0.46) KDM4EHTTUSP2TSHRTP53

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 932/4885HTT 874/4885USP2 3541/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R KDM4E 932/4885HTT 874/4885USP2 3541/4885

“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.