SCHEMBL770939

SCHEMBL770939

CC1CCN(C(=O)CCC(=O)N2CCC3CCCC=C3C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 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
SCHEMBL769997 0.95 NPC1 (0.54) NPC1ALDH1A1HPGDRAB9ALMNA
SCHEMBL769712 0.95 NPC1 (0.57) NPC1ALDH1A1HPGDRAB9ALMNA
SCHEMBL770075 0.92 ALDH1A1 (0.42) NPC1ALDH1A1HPGDRAB9ALMNA
SCHEMBL771656 0.92 MAPK1 (0.36) NPC1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL771900 0.89 ATM (0.39) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL770610 0.89 POLB (0.41) NPC1ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL770448 0.88 SMN1; SMN2 (0.44) NPC1ALDH1A1LMNASMN1; SMN2CHRM2
SCHEMBL771940 0.88 KMT2A (0.50) ALDH1A1HPGDRAB9ALMNASMN1; SMN2
SCHEMBL770696 0.86 MEN1 (0.38) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL769789 0.86 NPC1 (0.42) NPC1ALDH1A1HPGDLMNASMN1; SMN2

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 NPC1 97/4885ALDH1A1 144/4885HPGD 50/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 104/4885ALDH1A1 142/4885HPGD 50/4885

“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.