SCHEMBL3882103

SCHEMBL3882103

O=C(NN1CCCCC1)c1cccc(-c2ccc(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
HTT P42858 2/20 0.38
CNR2 P34972 6/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 3/20 0.37
PARP1 P09874 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
Hydrochloric Acid SCHEMBL3000853 0.99 HSD11B1 (0.42) HSD11B1NPC1RAB9ASMN1; SMN2BCL2L1
SCHEMBL209242 0.92 HSD11B1 (0.43) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL2999252 0.87 HSD11B1 (0.50) HSD11B1NPC1RAB9AMEN1KMT2A
SCHEMBL2994511 0.87 HSD11B1 (0.44) HSD11B1SMN1; SMN2BCL2L1MCL1MEN1
SCHEMBL13266359 0.86 HSD11B1 (0.44) HSD11B1SMN1; SMN2BCL2L1MCL1KMT2A
SCHEMBL3882100 0.85 ERN1 (0.41) HSD11B1NPC1RAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL3000850 0.84 ERN1 (0.41) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL208632 0.82 HSD11B1 (0.43) HSD11B1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL3554331 0.82 HSD11B1 (0.60) HSD11B1CNR1
SCHEMBL3880954 0.82 PDE5A (0.47) HSD11B1NPC1RAB9ASMN1; SMN2HTT

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
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP claimed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US claimed

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-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 HSD11B1 1/4885NPC1 1034/4885RAB9A 3919/4885

“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.