SCHEMBL19741744

SCHEMBL19741744

COc1ccc(C(C)N2CCC[C@@H](CN)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.45
CHRM2 P08172 6/20 0.44
CHRM1 P11229 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM3 P20309 1/20 0.44
OPRM1 P35372 2/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL19741735 1.00 HSD11B1 (0.45) HSD11B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL17145035 1.00 HSD11B1 (0.45) HSD11B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL19741734 1.00 HSD11B1 (0.45) HSD11B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL29963502 0.92 HSD11B1 (0.46) HSD11B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL19741750 0.92 HSD11B1 (0.46) HSD11B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL19741749 0.92 HSD11B1 (0.46) HSD11B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL19741713 0.92 HSD11B1 (0.46) HSD11B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL19741714 0.92 HSD11B1 (0.46) HSD11B1CHRM2CHRM1CHRM4CHRM3
SCHEMBL19741719 0.84 ACE (0.49) HSD11B1OPRM1KMT2AALDH1A1
SCHEMBL17145089 0.84 ACE (0.49) HSD11B1OPRM1KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 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 (1 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A HSD11B1 581/4885CHRM2 2885/4885CHRM1 2632/4885

“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.