SCHEMBL12422659

SCHEMBL12422659

CN1CCC2(c3c[nH]c4ncccc34)CC12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.57
CNR2 P34972 1/20 0.40
DRD4 P21917 7/20 0.40
DRD3 P35462 5/20 0.40
DRD2 P14416 4/20 0.40
AXL P30530 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
RET P07949 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
HTR7 P34969 2/20 0.38
HTR2A P28223 1/20 0.38
HTR6 P50406 1/20 0.38
OPRL1 P41146 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL12509444 0.78 HSD11B1 (0.62) HSD11B1CNR2DRD4DRD3DRD2
SCHEMBL25427364 0.77 HSD11B1 (0.50) HSD11B1CNR2DRD4DRD3DRD2
SCHEMBL30509707 0.77 HSD11B1 (0.50) HSD11B1CNR2DRD4DRD3DRD2
SCHEMBL1814618 0.75 HSD11B1 (0.66) HSD11B1CNR2DRD4DRD3DRD2
SCHEMBL1824140 0.73 HSD11B1 (1.00) HSD11B1DRD4DRD3DRD2HTR7
SCHEMBL1813724 0.73 HSD11B1 (1.00) HSD11B1CNR2DRD4DRD3DRD2
SCHEMBL12422658 0.73 HSD11B1 (0.44) HSD11B1CNR2DRD4DRD3DRD2
Hydrochloric Acid SCHEMBL1816561 0.69 HSD11B1 (0.45) HSD11B1CNR2AXLGPR84HTR2A
SCHEMBL1812773 0.69 HSD11B1 (0.44) HSD11B1CNR2DRD4DRD3DRD2
SCHEMBL25774687 0.68 HSD11B1 (0.45) HSD11B1CNR2DRD4DRD3DRD2

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-8486964-B2 Fused pyrrolidino-cyclopropane derivatives as selective 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GMBH (DE) 2013-07-16 US disclosed
US-20110172265-A1 Fused pyrrolidino-cyclopropane derivatives as selective 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-14 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-20110172265-A1 Fused pyrrolidino-cyclopropane derivatives as selective 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885CNR2 2989/4885DRD4 1530/4885

“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.