SCHEMBL769754

SCHEMBL769754

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
AR P10275 5/20 0.43
AVPR1A P37288 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC18A3 Q16572 1/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL769758 0.86 TSHR (0.48) TSHRAKR1C3ALDH1A1HTTAR
SCHEMBL770700 0.86 AR (0.51) TSHRALDH1A1ARKMT2AMAPT
SCHEMBL770999 0.86 PKM (0.51) TSHRAKR1C3ALDH1A1MEN1KMT2A
SCHEMBL769756 0.84 AR (0.54) TSHRALDH1A1ARMEN1KMT2A
SCHEMBL770907 0.84 AR (0.54) TSHRALDH1A1ARMEN1KMT2A
SCHEMBL772030 0.81 TSHR (0.52) TSHRAKR1C3ALDH1A1HTTAR
SCHEMBL770273 0.80 HTT (0.35) ALDH1A1HTTMAPT
SCHEMBL770537 0.78 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL770764 0.78 SMN1; SMN2 (0.33) ALDH1A1MAPT
SCHEMBL770422 0.74 MAPT (0.33) MAPT

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 3844/4885AKR1C3 123/4885ALDH1A1 144/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 TSHR 3858/4885AKR1C3 122/4885ALDH1A1 142/4885

“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.