SCHEMBL3525372

SCHEMBL3525372

CC(C)(C)OC(=O)N1CCC(c2nc(Cc3cccnc3)no2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
NAMPT P43490 2/20 0.47
HTT P42858 1/20 0.44
EPHA2 P29317 1/20 0.44
KDR P35968 1/20 0.44
EPHB4 P54760 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL390685 0.88 NAMPT (0.53) GPR119SMN1; SMN2GAATHRBNAMPT
SCHEMBL27621223 0.86 LMNA (0.43) SMN1; SMN2GAAHTTLMNA
SCHEMBL3527660 0.85 LMNA (0.47) SMN1; SMN2HTTLMNA
SCHEMBL14514093 0.84 GPR119 (0.48) GPR119SMN1; SMN2GAATHRBEPHA2
SCHEMBL14514087 0.83 SMN1; SMN2 (0.49) GPR119SMN1; SMN2GAATHRBEPHA2
SCHEMBL3524161 0.83 ALDH1A1 (0.50) GPR119SMN1; SMN2GAATHRBHTT
SCHEMBL14514094 0.82 HDAC4 (0.46) GPR119SMN1; SMN2GAATHRBNAMPT
SCHEMBL3606202 0.82 GPR119 (0.51) GPR119SMN1; SMN2GAATHRBNAMPT
SCHEMBL14514090 0.82 EPHA2 (0.45) GPR119SMN1; SMN2GAATHRBEPHA2
SCHEMBL29891810 0.82 HTT (0.64) GPR119SMN1; SMN2GAAHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 GPR119 120/4885SMN1; SMN2 4065/4885GAA 2640/4885

“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.