SCHEMBL1949034

SCHEMBL1949034

COC(=O)CC1CC2(CCNCC2)c2cc(C)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.48
HSD11B2 P80365 2/20 0.39
GAA P10253 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
LPAR1 Q92633 1/20 0.37
EGFR P00533 1/20 0.35
KDM1A O60341 1/20 0.35
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1952893 0.91 HSD11B1 (0.48) HSD11B1HSD11B2GAAUSP2LMNA
SCHEMBL1952794 0.87 HSD11B1 (0.37) HSD11B1HSD11B2USP2CYP3A4EGFR
SCHEMBL1222894 0.87 HSD11B1 (0.58) HSD11B1HSD11B2GABRDGABRA1GABRB1
SCHEMBL1222483 0.87 HSD11B1 (0.43) HSD11B1HSD11B2CYP3A4LPAR1EGFR
SCHEMBL1952157 0.79 HSD11B1 (0.46) HSD11B1GAALMNACYP3A4EGFR
SCHEMBL16380625 0.79 HSD11B1 (0.43) HSD11B1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL9391014 0.78 OPRM1 (0.44) HSD11B1HSD11B2KMT2AMEN1ALDH1A1
SCHEMBL1222034 0.77 HSD11B1 (0.58) HSD11B1HSD11B2KMT2AMEN1CYP2D6
SCHEMBL1222773 0.77 HSD11B1 (0.46) HSD11B1HSD11B2KMT2AALDH1A1
SCHEMBL12547990 0.73 KDM1A (0.37) HSD11B1KDM1AGABRDGABRA1GABRB1

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-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 US disclosed
EP-2265588-A1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009108332-A1 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-03 WO 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-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885HSD11B2 4/4885GAA 367/4885

“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.