SCHEMBL3529464

SCHEMBL3529464

CCOC(=O)C(C#N)C1(c2ccccc2C)CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.47
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.37
OPRD1 P41143 5/20 0.36
OPRK1 P41145 5/20 0.36
OPRM1 P35372 5/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL6264708 0.87 OPRM1 (0.43) APPMEN1KMT2AGAASMN1; SMN2
SCHEMBL2636236 0.86 APP (0.46) APPTSHROPRD1OPRK1
SCHEMBL17078046 0.80 OPRM1 (0.44) APPMEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL3525986 0.78 KMT2A (0.48) APPMEN1KMT2AGAASMN1; SMN2
SCHEMBL6152936 0.77 LMNA (0.40) APPSMN1; SMN2OPRD1OPRK1OPRM1
SCHEMBL3529111 0.76 TSHR (0.45) APPTSHROPRD1OPRK1
SCHEMBL4407528 0.75 TSHR (0.47) APPTSHROPRD1OPRK1OPRM1
SCHEMBL3523983 0.75 CRHBP (0.41) MEN1KMT2AGAASMN1; SMN2TSHR
SCHEMBL3527223 0.75 OPRM1 (0.38) APPOPRD1OPRK1OPRM1ALDH1A1
SCHEMBL345750 0.74 ALDH1A1 (0.35) MEN1KMT2AGAASMN1; SMN2TSHR

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 APP 2907/4885MEN1 4561/4885KMT2A 4565/4885

“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.