SCHEMBL3523767

SCHEMBL3523767

CCOC(=O)C(C#N)C1(c2cccc(C)c2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.45
JAK2 O60674 10/20 0.45
GPR119 Q8TDV5 1/20 0.43
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
GPR4 P46093 1/20 0.40
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL3523742 0.91 TP53 (0.46) JAK1JAK2MAPTTSHRALOX15
SCHEMBL5916161 0.91 GPR119 (0.45) JAK1JAK2GPR119TSHRALOX15
SCHEMBL4407528 0.90 TSHR (0.47) JAK1JAK2TSHRALOX15ATM
SCHEMBL3526220 0.90 KMT2A (0.43) JAK1JAK2TSHRALOX15ATM
SCHEMBL3526905 0.89 TSHR (0.46) JAK1JAK2GPR119TSHRALOX15
SCHEMBL3525689 0.89 KDM4E (0.41) JAK1JAK2TSHRALOX15ATM
SCHEMBL4410866 0.89 TACR1 (0.47) JAK1JAK2TSHRALOX15ATM
SCHEMBL3528183 0.89 KDM4E (0.41) JAK1JAK2GPR119TSHRALOX15
SCHEMBL3530835 0.88 GPR119 (0.42) JAK1JAK2GPR119
SCHEMBL4407208 0.87 JAK2 (0.41) JAK1JAK2

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 JAK1 2938/4885JAK2 2862/4885GPR119 120/4885

“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.