SCHEMBL3529207

SCHEMBL3529207

CC(C)Oc1cccc(C2(CC#N)CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.45
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
JAK2 O60674 13/20 0.42
JAK1 P23458 13/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3530188 0.90 JAK2 (0.47) TACR1ATMJAK2JAK1MEN1
SCHEMBL3528807 0.88 KMT2A (0.46) TACR1ATMJAK2JAK1KMT2A
SCHEMBL3528131 0.85 JAK2 (0.50) TACR1ATMJAK2JAK1
SCHEMBL3529074 0.85 TACR1 (0.46) TACR1TSHRALOX15ATMMEN1
SCHEMBL3527642 0.85 JAK2 (0.51) TACR1ATMJAK2JAK1
SCHEMBL16565391 0.84 TACR1 (0.57) TACR1TSHRALOX15ATMJAK2
SCHEMBL3532019 0.83 TACR1 (0.46) TACR1ATMJAK2JAK1
SCHEMBL3524300 0.82 JAK2 (0.53) TACR1JAK2JAK1
SCHEMBL3528430 0.80 TSHR (0.46) TACR1TSHRALOX15ATMJAK2
SCHEMBL5026906 0.80 JAK2 (0.45) TACR1JAK2JAK1

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 140/4885TSHR 2546/4885ALOX15 1639/4885

“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.