SCHEMBL12199710

SCHEMBL12199710

CCN1CCN(c2nc3c(s2)CN(C(=O)C2CC2)CC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.49
MAPT P10636 6/20 0.44
HSD11B1 P28845 2/20 0.44
TP53 P04637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
OGA O60502 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12199712 0.86 OGA (0.53) GRM5MAPTTP53NPC1RAB9A
SCHEMBL12199709 0.82 POLB (0.40) GRM5NPC1RAB9AOGASMN1; SMN2
SCHEMBL30717355 0.81 NPC1 (0.43) GRM5MAPTTP53NPC1RAB9A
SCHEMBL12199715 0.80 GRAMD1A (0.46) MAPTNPC1RAB9AOGA
SCHEMBL12199714 0.76 HDAC3 (0.49) GRM5MAPTOGASMN1; SMN2
SCHEMBL30717490 0.73 CNR1 (0.40) GRM5MAPTTP53NPC1RAB9A
SCHEMBL12199711 0.72 TAS1R3 (0.48) MAPTNPC1RAB9AOGA
SCHEMBL12199724 0.72 KMT2A (0.43) MAPTTP53NPC1RAB9AOGA
SCHEMBL12199713 0.70 SLC27A1 (0.47) GRM5TP53NPC1RAB9AOGA
SCHEMBL30717349 0.70 GRM5 (0.52) GRM5

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 GRM5 33/4885MAPT 908/4885HSD11B1 2808/4885

“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.