SCHEMBL802885

SCHEMBL802885

CN(C(=O)CCCNC(=O)N1CCCC2CCCCC21)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE3B Q13370 11/20 0.40
PDE3A Q14432 11/20 0.40
P2RY12 Q9H244 7/20 0.40
PDE2A O00408 5/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE5A O76074 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PTAFR P25105 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL770795 0.93 NPC1 (0.43) NPC1RAB9ASMN1; SMN2PDE3BPDE3A
SCHEMBL794796 0.84 ALDH1A1 (0.39) PDE3BPDE3AP2RY12PDE2APOLB
SCHEMBL771774 0.84 NPC1 (0.40) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL771425 0.83 NPSR1 (0.40) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL786891 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL772280 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2PDE3BPDE3A
SCHEMBL770194 0.80 EPHX2 (0.49) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL771526 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL772486 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TDP1MEN1
SCHEMBL770491 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TDP1MEN1

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 2 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

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 97/4885RAB9A 2187/4885SMN1; SMN2 3653/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 NPC1 104/4885RAB9A 2217/4885SMN1; SMN2 3637/4885

“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.