SCHEMBL771349

SCHEMBL771349

CC(C)(C)NC(=O)NCCCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 9/20 0.37
CYP2D6 P10635 7/20 0.37
KCNH2 Q12809 7/20 0.37
ALDH1A1 P00352 1/20 0.34
DPP4 P27487 5/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL770410 0.92 CACNA1H (0.39) CACNA1HCYP2D6KCNH2ALDH1A1NPC1
SCHEMBL770834 0.90 QPCT (0.33) ALDH1A1DPP4NPC1RAB9A
SCHEMBL771263 0.86 EPHX1 (0.39) DPP4
SCHEMBL770322 0.83 EPHX1 (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL770654 0.83 EPHX1 (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL770645 0.82 EPHX2 (0.40) ALDH1A1DPP4
SCHEMBL770945 0.82 NAAA (0.36) CYP2D6MAPT
SCHEMBL770360 0.82 RAB9A (0.34) CACNA1HCYP2D6KCNH2ALDH1A1DPP4
SCHEMBL771768 0.81 CCR3 (0.47) ALDH1A1RAB9A
SCHEMBL771634 0.81 KEAP1 (0.48) DPP4

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 CACNA1H 3471/4885CYP2D6 395/4885KCNH2 4431/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 CACNA1H 3464/4885CYP2D6 394/4885KCNH2 4424/4885

“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.