SCHEMBL12199715

SCHEMBL12199715

CCN1CCN(c2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.46
ADORA1 P30542 2/20 0.44
MAPT P10636 2/20 0.44
OGA O60502 1/20 0.40
GCK P35557 12/20 0.40
KDM4E B2RXH2 1/20 0.38
RAD52 P43351 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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) GRAMD1AADORA1MAPTOGAGCK
SCHEMBL12199718 0.85 GRAMD1A (0.51) GRAMD1AADORA1MAPTOGAGCK
SCHEMBL15880606 0.84 GRAMD1A (0.48) GRAMD1AADORA1MAPTOGAGCK
SCHEMBL12199712 0.84 OGA (0.53) MAPTOGAKDM4ERAD52RECQL
SCHEMBL30717355 0.83 NPC1 (0.43) MAPTOGAKDM4ERAD52RECQL
SCHEMBL30717561 0.83 GRAMD1A (0.43) GRAMD1AADORA1MAPTOGAGCK
SCHEMBL30717625 0.82 GRAMD1A (0.44) GRAMD1AADORA1MAPTOGAGCK
SCHEMBL12199710 0.80 GRM5 (0.49) MAPTOGANPC1RAB9A
SCHEMBL19283959 0.80 GCK (0.48) GRAMD1AMAPTGCKNPC1RAB9A
SCHEMBL16286088 0.79 GRAMD1A (0.51) GRAMD1AADORA1MAPTGCKKDM4E

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
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
WO-2010071822-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-06-24 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-20110245267-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GID4, IL5 GRAMD1A 2410/4885ADORA1 582/4885MAPT 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.