SCHEMBL3528253

SCHEMBL3528253

Cc1ccccc1C1(CC#N)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.48
JAK1 P23458 16/20 0.48
TACR1 P25103 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
APP P05067 1/20 0.43

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
SCHEMBL16565391 0.85 TACR1 (0.57) JAK2JAK1TACR1
SCHEMBL4409363 0.84 TACR1 (0.48) TACR1HDAC1HDAC8HDAC6APP
SCHEMBL3530123 0.83 APP (0.43) JAK2JAK1APP
SCHEMBL3528311 0.83 TACR1 (0.45) TACR1HDAC1HDAC8HDAC6APP
SCHEMBL7710592 0.82 ADRA1D (0.46) JAK2JAK1HDAC1HDAC8HDAC6
SCHEMBL3525836 0.81 JAK2 (0.47) JAK2JAK1TACR1
SCHEMBL5026906 0.81 JAK2 (0.45) JAK2JAK1TACR1
SCHEMBL3528131 0.80 JAK2 (0.50) JAK2JAK1TACR1
SCHEMBL3249913 0.79 OPRD1 (0.49) TACR1HDAC1HDAC8HDAC6APP
SCHEMBL14272847 0.78 JAK2 (0.45) JAK2JAK1

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 4 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-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 JAK2 2862/4885JAK1 2938/4885TACR1 140/4885

“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.