SCHEMBL771320

SCHEMBL771320

CC(C)(C)NC(=S)NCCCNC(=O)N1CCCC2CCCCC21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.37
EPHX2 P34913 2/20 0.37
POLB P06746 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
QPCT Q16769 1/20 0.35
FKBP1A P62942 4/20 0.35
TSHR P16473 1/20 0.35
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL770411 0.88 NPC1 (0.43) NPC1RAB9ASMN1; SMN2NPSR1EPHX2
SCHEMBL770833 0.86 DPP4 (0.39) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL770359 0.84 DRD2 (0.37) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL15386644 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2NPSR1EPHX2
SCHEMBL770704 0.83 KMT2A (0.49) NPC1RAB9ASMN1; SMN2NPSR1POLB
SCHEMBL770097 0.82 KMT2A (0.48) NPC1RAB9ASMN1; SMN2NPSR1POLB
SCHEMBL770739 0.81 HRH3 (0.45) NPC1RAB9ASMN1; SMN2NPSR1EPHX2
SCHEMBL770005 0.79 HDAC4 (0.37) RAB9ASMN1; SMN2TDP1QPCTCNR2
SCHEMBL772616 0.78 EPHX2 (0.58) SMN1; SMN2EPHX2FKBP1ATSHRALDH1A1
SCHEMBL770950 0.78 NPC1 (0.66) NPC1RAB9ASMN1; SMN2EPHX2TDP1

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 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.