SCHEMBL771325

SCHEMBL771325

CN(Cc1cccc2ccccc12)C(=O)CCNC(=O)N1CCCC2CCCCC21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
METAP2 P50579 4/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
METAP1 P53582 1/20 0.43
PREP P48147 1/20 0.42
TACR1 P25103 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
P2RX7 Q99572 1/20 0.40
DPP4 P27487 1/20 0.39
UTS2R Q9UKP6 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
SCHEMBL771404 0.94 SIGMAR1 (0.46) SIGMAR1METAP2NPC1RAB9ASMN1; SMN2
SCHEMBL770128 0.85 SIGMAR1 (0.48) SIGMAR1METAP2METAP1PREPTACR1
SCHEMBL771335 0.85 SIGMAR1 (0.48) SIGMAR1METAP2METAP1PREPTACR1
SCHEMBL771069 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TACR1MEN1
SCHEMBL794593 0.83 SIGMAR1 (0.47) SIGMAR1METAP2NPC1RAB9ASMN1; SMN2
SCHEMBL769940 0.79 SIGMAR1 (0.43) SIGMAR1METAP2METAP1MEN1KMT2A
SCHEMBL771526 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TACR1KMT2A
SCHEMBL771173 0.78 NPC1 (0.43) NPC1RAB9ASMN1; SMN2DPP4
SCHEMBL770849 0.76 NPC1 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL7265331 0.75 KMT2A (0.46) SIGMAR1METAP2METAP1PREPTACR1

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 SIGMAR1 3447/4885METAP2 3787/4885NPC1 97/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SIGMAR1 3410/4885METAP2 3805/4885NPC1 104/4885

“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.