SCHEMBL12199718

SCHEMBL12199718

CC(C)N1CCN(c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.51
OGA O60502 2/20 0.48
MAPT P10636 2/20 0.44
ADORA1 P30542 2/20 0.43
GCK P35557 12/20 0.42
KDM4E B2RXH2 1/20 0.38
PRKCI P41743 1/20 0.38

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 0.88 GRAMD1A (0.50) GRAMD1AOGAMAPTADORA1GCK
SCHEMBL12199715 0.85 GRAMD1A (0.46) GRAMD1AOGAMAPTADORA1GCK
SCHEMBL15880606 0.84 GRAMD1A (0.48) GRAMD1AOGAMAPTADORA1GCK
SCHEMBL30717625 0.82 GRAMD1A (0.44) GRAMD1AOGAMAPTADORA1GCK
SCHEMBL30717561 0.81 GRAMD1A (0.43) GRAMD1AOGAMAPTADORA1GCK
SCHEMBL19461393 0.81 OGA (0.56) OGA
SCHEMBL19461391 0.81 OGA (0.56) OGA
SCHEMBL12199719 0.79 GRAMD1A (0.44) GRAMD1AMAPTADORA1GCK
SCHEMBL17993838 0.78 GRAMD1A (0.53) GRAMD1AMAPTADORA1GCKKDM4E
SCHEMBL12761195 0.78 GRAMD1A (0.53) GRAMD1AMAPTADORA1GCKKDM4E

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 2410/4885OGA 843/4885MAPT 908/4885

“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.