SCHEMBL19681171

SCHEMBL19681171

O=C(CN1CCC(C2CCCC2)CC1)Nc1c(C(=O)C2CC2)[nH]c2c1CNCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TNKS O95271 4/20 0.33
TNKS2 Q9H2K2 4/20 0.33
PARP1 P09874 3/20 0.33
PARP2 Q9UGN5 3/20 0.33

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
SCHEMBL19681131 0.73 KDM4E (0.60) KDM4ESMN1; SMN2LMNAHTTPOLB
SCHEMBL19681040 0.72 KDM4E (0.62) KDM4ESMN1; SMN2LMNAHTTPOLB
SCHEMBL19681179 0.71 KDM4E (0.45) KDM4ESMN1; SMN2LMNAHTTPOLB
SCHEMBL19681142 0.69 KDM4E (0.60) KDM4ESMN1; SMN2LMNAHTTPOLB
SCHEMBL19681033 0.69 USP2 (0.48) KDM4ESMN1; SMN2LMNAHTTPOLB
SCHEMBL19681193 0.69 KDM4E (0.42) KDM4ESMN1; SMN2HTTPOLBALDH1A1
SCHEMBL19681191 0.68 ALDH1A1 (0.46) KDM4ESMN1; SMN2LMNAHTTPOLB
SCHEMBL21013029 0.64 KDM4E (0.43) KDM4ESMN1; SMN2LMNAHTTTDP1
SCHEMBL19681239 0.62 KDM4E (0.62) KDM4ESMN1; SMN2LMNAHTTPOLB
SCHEMBL19681026 0.62 KDM4E (0.64) KDM4ESMN1; SMN2LMNAHTTPOLB

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 932/4885SMN1; SMN2 4360/4885LMNA 4858/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R KDM4E 932/4885SMN1; SMN2 4360/4885LMNA 4858/4885

“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.