SCHEMBL1687202

SCHEMBL1687202

CCC1CCN(c2ncc(CC(C)C)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
OGA O60502 2/20 0.36
GPR119 Q8TDV5 5/20 0.36
SMO Q99835 2/20 0.35
CETP P11597 1/20 0.35
ACACB O00763 3/20 0.34
PDE8B O95263 1/20 0.34

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
SCHEMBL1621880 0.89 MAPK8 (0.38) NPC1RAB9AKDM4EMAPK8MAPK10
SCHEMBL11957018 0.84 GPR119 (0.46) NPC1RAB9AKDM4EOGAGPR119
SCHEMBL18714938 0.81 HRH3 (0.39) NPC1RAB9AKDM4EMAPK8MAPK10
SCHEMBL17411217 0.79 GPR119 (0.47) NPC1RAB9AKDM4EMAPK8MAPK10
SCHEMBL27086563 0.79 GPR119 (0.47) NPC1RAB9AKDM4EGPR119PDE8B
SCHEMBL25447242 0.78 CHRM4 (0.42) NPC1RAB9AKDM4EMAPK8MAPK10
SCHEMBL25190421 0.78 SMO (0.40) NPC1RAB9AKDM4EMAPK8MAPK10
SCHEMBL10243308 0.75 KDM4E (0.51) KDM4EGPR119SMO
SCHEMBL22526350 0.75 RORC (0.45)
SCHEMBL1621687 0.75 MAPT (0.47) NPC1RAB9AKDM4EOGA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2012-04-12 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-20120088764-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB NPC1 2404/4885RAB9A 2340/4885KDM4E 868/4885

“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.