SCHEMBL14768643

SCHEMBL14768643

CC(C)(C)OC(=O)N1CCN(CCCSc2nc3ccccc3s2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
RECQL P46063 1/20 0.53
ACKR3 P25106 2/20 0.51
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
SOAT1 P35610 1/20 0.49
USP2 O75604 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL14761750 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ASOAT1USP2
SCHEMBL9963103 0.78 GPR119 (0.56) SMN1; SMN2NPC1RAB9ALMNAACKR3
SCHEMBL4768370 0.77 GPR119 (0.55) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL31715306 0.76 GRIN2B (0.47) SMN1; SMN2LMNAHTTACKR3ATM
SCHEMBL26505371 0.76 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL26097035 0.76 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9ALMNAHTT
SCHEMBL14761961 0.76
SCHEMBL26826092 0.76 ALDH1A1 (0.62) SMN1; SMN2NPC1RAB9AACKR3KDM4E
SCHEMBL14761267 0.75 CYP1A2 (0.58) SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL3766890 0.75 ACKR3 (0.48) SMN1; SMN2ACKR3GPR119

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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A SMN1; SMN2 3377/4885NPC1 551/4885RAB9A 1048/4885

“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.