SCHEMBL16766331

SCHEMBL16766331

CC(CC(=O)N1CCCC2CCCCC21)c1c[nH]c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.41
OPRL1 P41146 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAP2K1 Q02750 1/20 0.37
CAMKK1 Q8N5S9 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
JAK3 P52333 1/20 0.36
MET P08581 1/20 0.36
MTNR1A P48039 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL15245433 1.00 HSD11B1 (0.41) HSD11B1OPRL1OPRM1OPRK1NPC1
SCHEMBL15245513 0.90 HSD11B1 (0.40) HSD11B1OPRL1OPRM1OPRK1NPC1
SCHEMBL15245595 0.88 OPRL1 (0.40) HSD11B1OPRL1OPRM1OPRK1MAP2K1
SCHEMBL15245541 0.84 HSD11B1 (0.38) HSD11B1OPRL1OPRM1OPRK1MAP2K1
SCHEMBL15230191 0.84 HTR2A (0.44) HSD11B1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL15229599 0.82 DRD2 (0.36) NPC1RAB9ASMN1; SMN2JAK3DRD2
SCHEMBL15245984 0.82 HSD11B1 (0.40) HSD11B1OPRL1OPRM1OPRK1JAK3
SCHEMBL15229650 0.82 HSD11B1 (0.40) HSD11B1OPRL1OPRM1OPRK1JAK3
SCHEMBL18684479 0.82 HSD11B1 (0.40) HSD11B1OPRL1OPRM1OPRK1CAMKK1
SCHEMBL15245440 0.81 HSD11B1 (0.39) HSD11B1OPRL1OPRM1OPRK1AXL

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
EP-2800748-B1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2017-03-29 EP disclosed
US-9453014-B2 Cyclic amide derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase and uses thereof CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2016-09-27 US disclosed
US-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2015-06-11 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 (1 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-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885OPRL1 2861/4885OPRM1 2247/4885

“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.