SCHEMBL772211

SCHEMBL772211

Cc1ccccc1N1CCN(C(=O)CCCNC(=O)N2CCC3CCCCC3C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.53
TSHR P16473 3/20 0.47
ADAMTS5 Q9UNA0 5/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
MMP1 P03956 1/20 0.43
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
SLC18A3 Q16572 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
SCHEMBL770432 0.89 AR (0.60) ARTSHRADAMTS5KMT2AMAPT
SCHEMBL771346 0.89 AR (0.60) ARTSHRADAMTS5KMT2AMAPT
SCHEMBL770437 0.89 KMT2A (0.58) TSHRKMT2AMAPTRAB9ANPC1
SCHEMBL770213 0.87 TSHR (0.56) ARTSHRADAMTS5KMT2AMMP1
SCHEMBL770579 0.85 AR (0.53) ARTSHRADAMTS5KMT2AMAPT
SCHEMBL770186 0.85 TSHR (0.56) ARTSHRADAMTS5KMT2AMAPT
SCHEMBL770989 0.80 PRKAB2 (0.48) MAPTALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL17690705 0.79 MAPT (0.47) TSHRKMT2AMAPTALDH1A1MEN1
SCHEMBL771047 0.79 NPC1 (0.54) KMT2AMAPTRAB9ANPC1ALDH1A1
SCHEMBL772029 0.79 TSHR (0.60) ARTSHRKMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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 AR 2000/4885TSHR 3844/4885ADAMTS5 515/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 AR 2012/4885TSHR 3858/4885ADAMTS5 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.