SCHEMBL771492

SCHEMBL771492

O=C(CCC1CCCC1)NCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
ALPL P05186 1/20 0.36
TP53 P04637 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL771099 0.99 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL771647 0.93 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL770673 0.86 MTNR1A (0.34) ALDH1A1HPGD
SCHEMBL771395 0.85 OPRD1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL771373 0.83 KEAP1 (0.41) ALDH1A1HPGDCHRM2CHRM4CHRM5
SCHEMBL771680 0.83 DPP4 (0.32) ALDH1A1KMT2ALMNA
SCHEMBL771385 0.82 KEAP1 (0.42) ALDH1A1HPGDTP53CHRM2CHRM4
SCHEMBL771020 0.81 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2AHPGDCHRM2
SCHEMBL771368 0.81 HPGD (0.50) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL770260 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AHPGDLMNATP53

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 ALDH1A1 144/4885MEN1 827/4885KMT2A 3868/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885MEN1 823/4885KMT2A 3893/4885

“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.