SCHEMBL3526480

SCHEMBL3526480

Cc1ccc(C2(CC=O)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.47
TACR1 P25103 1/20 0.47
CCR5 P51681 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
KDM1A O60341 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38

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
SCHEMBL1939196 0.89 RORC (0.46) GPR119TACR1CCR5OPRD1OPRK1
SCHEMBL16554221 0.89 MEN1 (0.50) TACR1CCR5KMT2AMEN1SMN1; SMN2
SCHEMBL3272198 0.89 TACR1 (0.58) GPR119TACR1CCR5OPRD1OPRK1
SCHEMBL3530252 0.87 HTT (0.50) GPR119TACR1CCR5KMT2AMEN1
SCHEMBL3531065 0.86 TACR1 (0.48) GPR119TACR1CCR5OPRD1OPRK1
SCHEMBL12289569 0.86 GPR119 (0.50) GPR119TACR1CCR5KMT2AMEN1
SCHEMBL10306288 0.85 GPR119 (0.49) GPR119TACR1CCR5KMT2AMEN1
SCHEMBL10306289 0.84 TACR1 (0.50) GPR119TACR1CCR5KMT2AMEN1
SCHEMBL16041662 0.83 GPR119 (0.47) GPR119TACR1CCR5KMT2AMEN1
SCHEMBL3525836 0.82 JAK2 (0.47) GPR119TACR1KMT2ATP53

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 120/4885TACR1 140/4885CCR5 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.