SCHEMBL3531065

SCHEMBL3531065

Cc1cccc(C2(CC=O)CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
GPR119 Q8TDV5 2/20 0.48
CCR5 P51681 7/20 0.45
ATM Q13315 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
KDM1A O60341 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
USP30 Q70CQ3 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL3525135 0.88 CCR5 (0.54) TACR1CCR5ATMOPRD1OPRK1
SCHEMBL3272198 0.87 TACR1 (0.58) TACR1GPR119CCR5ATMOPRD1
SCHEMBL3529091 0.87 TACR1 (0.47) TACR1CCR5ATMOPRD1OPRK1
SCHEMBL3526480 0.86 GPR119 (0.47) TACR1GPR119CCR5ATMOPRD1
SCHEMBL3525203 0.86 TACR1 (0.46) TACR1GPR119CCR5ATMOPRD1
SCHEMBL3529074 0.85 TACR1 (0.46) TACR1GPR119CCR5ATMOPRD1
SCHEMBL3528005 0.85 KMT2A (0.49) TACR1GPR119CCR5ATMOPRD1
SCHEMBL3522779 0.85 GPR119 (0.52) TACR1GPR119JAK2JAK1
SCHEMBL3528131 0.83 JAK2 (0.50) TACR1GPR119CCR5ATMJAK2
SCHEMBL10246190 0.81 NAMPT (0.49) TACR1GPR119CCR5OPRD1OPRK1

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 TACR1 140/4885GPR119 120/4885CCR5 1/4885

“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.