SCHEMBL154602

SCHEMBL154602

CN1CCN([C@H]2C[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KAT6A Q92794 1/20 0.33
BDKRB1 P46663 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
ASGR1 P07306 1/20 0.32
SPR P35270 1/20 0.31
DPP4 P27487 1/20 0.31
USP30 Q70CQ3 1/20 0.31
PDE10A Q9Y233 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL131486 1.00 HSD11B1 (0.43) HSD11B1PIK3R1PIK3CACHRM2CHRM1
SCHEMBL154601 1.00 HSD11B1 (0.43) HSD11B1PIK3R1PIK3CACHRM2CHRM1
SCHEMBL132146 0.87 HSD11B1 (0.42) HSD11B1CHRM2CHRM1CHRM3KAT6A
SCHEMBL22694964 0.80 HSD11B1 (0.44) HSD11B1PIK3R1PIK3CACHRM2CHRM1
SCHEMBL8912028 0.80 HSD11B1 (0.50) HSD11B1CHRM1CHRM3KDM4DSPR
SCHEMBL12731249 0.79 HSD11B1 (0.43) HSD11B1PIK3R1PIK3CACHRM2CHRM1
SCHEMBL15685555 0.79 HSD11B1 (0.43) HSD11B1PIK3R1PIK3CACHRM2CHRM1
SCHEMBL12731246 0.79 HSD11B1 (0.43) HSD11B1PIK3R1PIK3CACHRM2CHRM1
SCHEMBL12731687 0.79 HSD11B1 (0.43) HSD11B1PIK3R1PIK3CACHRM2CHRM1
SCHEMBL24700252 0.77 HSD11B1 (0.44) HSD11B1PIK3R1PIK3CACHRM2CHRM1

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-2611810-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES Grünenthal GmbH (DE) 2013-07-10 EP disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
WO-2012028331-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES Grünenthal GmbH (DE) 2012-03-08 WO 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-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds BDKRB1, BDKRB2, LTB4R HSD11B1 2315/4885PIK3R1 3013/4885PIK3CA 1244/4885

“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.