SCHEMBL13766967

SCHEMBL13766967

Cn1ncc(C(=O)N[C@@H]2CC3CCC2C3)c1OCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 1/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
IDH1 O75874 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.38
PANK3 Q9H999 1/20 0.37

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
SCHEMBL13766920 0.88 HSD11B1 (0.53) HSD11B1ALDH1A1HPGDHTTLMNA
SCHEMBL13766962 0.86 HSD11B1 (0.54) HSD11B1ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL13766958 0.85 HSD11B1 (0.39) HSD11B1MEN1KMT2AGRM5LMNA
SCHEMBL13766964 0.84 HSD11B1 (0.54) HSD11B1ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL17226594 0.84 HSD11B1 (0.39) HSD11B1KMT2AGRM5HTTLMNA
SCHEMBL13766949 0.84 HSD11B1 (0.48) HSD11B1GRM5HTTLMNACNR2
SCHEMBL13766982 0.83 HSD11B1 (0.47) HSD11B1GRM5HTTLMNAIDH1
SCHEMBL13766968 0.83 HSD11B1 (0.42) HSD11B1HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL13767003 0.82 HSD11B1 (0.56) HSD11B1ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL13766983 0.81 HSD11B1 (0.38) HSD11B1GRM5IDH1CNR2

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-1953145-B1 HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO (JP) 2015-11-04 EP disclosed
US-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 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 (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-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD17B1, HSD11B1, HSD3B1 HSD11B1 2/4885HSD17B10 19/4885ALDH1A1 207/4885

“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.