SCHEMBL772030

SCHEMBL772030

Cc1ccccc1N1CCN(C(=O)C(=O)N2CCC3CCCC=C3C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
AKR1C3 P42330 1/20 0.45
AR P10275 5/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
AVPR1A P37288 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC18A3 Q16572 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL770214 0.88 AR (0.52) TSHRAKR1C3ARCA12CA1
SCHEMBL770187 0.88 TSHR (0.49) TSHRAKR1C3ARCA12CA1
SCHEMBL770433 0.86 AR (0.55) TSHRAKR1C3ARCA12CA1
SCHEMBL771347 0.86 AR (0.55) TSHRAKR1C3ARMEN1KMT2A
SCHEMBL770717 0.86 PKM (0.52) TSHRAKR1C3MEN1KMT2AALDH1A1
SCHEMBL772492 0.81 L3MBTL3 (0.33) ALDH1A1MAPT
SCHEMBL769754 0.81 TSHR (0.51) TSHRAKR1C3ARAVPR1AMEN1
SCHEMBL771570 0.80 L3MBTL3 (0.37) KMT2AALDH1A1HTTMAPT
SCHEMBL770485 0.79 ACHE (0.38) TSHRCA12CA1CA2CA9
SCHEMBL770905 0.79 ALDH1A1 (0.36) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 123/4885AR 2000/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 TSHR 3858/4885AKR1C3 122/4885AR 2012/4885

“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.