SCHEMBL19741669

SCHEMBL19741669

COc1ccc([C@@H](C)N2CCCC(COCc3ccccc3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD11B1 P28845 2/20 0.39
TRPV6 Q9H1D0 1/20 0.39
TSHR P16473 1/20 0.39
OPRM1 P35372 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACE P12821 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
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
SCHEMBL19741670 1.00 TACR1 (0.40) TACR1MEN1KMT2AALDH1A1HSD11B1
SCHEMBL19741667 1.00 TACR1 (0.40) TACR1MEN1KMT2AALDH1A1HSD11B1
SCHEMBL29865958 0.94 TACR1 (0.41) TACR1MEN1KMT2AALDH1A1HSD11B1
SCHEMBL19741745 0.91 ACE (0.44) TACR1ALDH1A1HSD11B1ACELMNA
SCHEMBL19741746 0.91 ACE (0.44) TACR1ALDH1A1HSD11B1ACELMNA
SCHEMBL17143978 0.91 ACE (0.44) TACR1ALDH1A1HSD11B1ACELMNA
SCHEMBL17143980 0.91 ACE (0.44) TACR1ALDH1A1HSD11B1ACELMNA
SCHEMBL17144595 0.84 CTSL (0.41) TACR1KMT2AALDH1A1HSD11B1LMNA
SCHEMBL17144390 0.84 CTSL (0.41) TACR1KMT2AALDH1A1HSD11B1LMNA
SCHEMBL17145035 0.80 HSD11B1 (0.45) MEN1KMT2AALDH1A1HSD11B1OPRM1

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 TACR1 4648/4885MEN1 3018/4885KMT2A 44/4885

“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.