SCHEMBL770958

SCHEMBL770958

CC1CCN(C(=O)CCNC(=O)N2CCCC3CCCCC32)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
NPC1 O15118 3/20 0.47
HSD11B1 P28845 1/20 0.46
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MEN1 O00255 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 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
SCHEMBL770982 0.93 NPC1 (0.51) ALDH1A1NPC1HSD11B1RAB9ASMN1; SMN2
SCHEMBL771182 0.88 NPC1 (0.46) NPC1HSD11B1RAB9ASMN1; SMN2DRD2
SCHEMBL770864 0.88 NPC1 (0.46) NPC1HSD11B1RAB9ASMN1; SMN2DRD2
SCHEMBL770244 0.88 NPC1 (0.46) NPC1HSD11B1RAB9ASMN1; SMN2DRD2
SCHEMBL770670 0.88 SMN1; SMN2 (0.41) ALDH1A1NPC1HSD11B1RAB9ASMN1; SMN2
SCHEMBL770808 0.88 ALDH1A1 (0.53) ALDH1A1NPC1HSD11B1RAB9ASMN1; SMN2
SCHEMBL770220 0.86 NPC1 (0.44) ALDH1A1NPC1HSD11B1RAB9ASMN1; SMN2
SCHEMBL769965 0.85 NPC1 (0.50) NPC1HSD11B1RAB9ASMN1; SMN2POLB
SCHEMBL770921 0.85 NPC1 (0.46) ALDH1A1NPC1HSD11B1RAB9ASMN1; SMN2
SCHEMBL770156 0.84 NPC1 (0.54) ALDH1A1NPC1HSD11B1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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 144/4885NPC1 97/4885HSD11B1 1/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885NPC1 104/4885HSD11B1 1/4885

“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.