SCHEMBL769758

SCHEMBL769758

Cc1ccccc1N1CCN(C(=O)CC(=O)N2CCCC3CCCC=C32)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
AR P10275 4/20 0.46
ADAMTS5 Q9UNA0 2/20 0.43
AKR1C3 P42330 1/20 0.42
SLC18A3 Q16572 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
AVPR1A P37288 3/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL770700 0.92 AR (0.51) TSHRARADAMTS5ALDH1A1KMT2A
SCHEMBL769756 0.90 AR (0.54) TSHRARADAMTS5ALDH1A1KMT2A
SCHEMBL770907 0.90 AR (0.54) TSHRARADAMTS5ALDH1A1KMT2A
SCHEMBL769469 0.87 RAB9A (0.52) TSHRALDH1A1HTTKMT2A
SCHEMBL769754 0.86 TSHR (0.51) TSHRARAKR1C3SLC18A3ALDH1A1
SCHEMBL770187 0.82 TSHR (0.49) TSHRARADAMTS5AKR1C3ALDH1A1
SCHEMBL770539 0.81 KDM1A (0.39) ALDH1A1
SCHEMBL770844 0.79 KMT2A (0.36) ALDH1A1KMT2A
SCHEMBL771484 0.79 LMNA (0.30)
SCHEMBL770749 0.79 L3MBTL1 (0.56) TSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 TSHR 3844/4885AR 2000/4885ADAMTS5 515/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 TSHR 3858/4885AR 2012/4885ADAMTS5 514/4885

“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.