SCHEMBL12199719

SCHEMBL12199719

CC(C)(C)OC(=O)N1CCc2nc(N3CCC(N4CCCCC4)CC3)sc2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.44
GCK P35557 2/20 0.41
ADORA1 P30542 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OGFRL1 Q5TC84 2/20 0.40
HRH3 Q9Y5N1 9/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
SCN4A P35499 1/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 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
SCHEMBL31164697 0.86 GRAMD1A (0.50) GRAMD1AGCKADORA1MAPT
SCHEMBL15880606 0.81 GRAMD1A (0.48) GRAMD1AGCKADORA1MAPT
SCHEMBL12199715 0.79 GRAMD1A (0.46) GRAMD1AGCKADORA1MAPT
SCHEMBL12199718 0.79 GRAMD1A (0.51) GRAMD1AGCKADORA1MAPT
SCHEMBL166201 0.78 GCK (0.45) GRAMD1AGCKADORA1OPRM1OPRD1
SCHEMBL31748905 0.78 GRM5 (0.42) GRAMD1AGCKADORA1MAPT
SCHEMBL30717625 0.76 GRAMD1A (0.44) GRAMD1AGCKADORA1MAPT
SCHEMBL30717561 0.76 GRAMD1A (0.43) GRAMD1AGCKADORA1MAPT
SCHEMBL31164700 0.75 GRAMD1A (0.50) GRAMD1AGCKADORA1MAPTSCN4A
SCHEMBL30717629 0.75 GCK (0.43) GRAMD1AGCKADORA1MAPTSCN4A

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-20110245267-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING PLOUGH CORPORATION (US) 2011-10-06 US disclosed
US-20110245267-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING PLOUGH CORPORATION (US) 2011-10-06 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-20110245267-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GID4, IL5 GRAMD1A 2410/4885GCK 112/4885ADORA1 582/4885

“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.