SCHEMBL3526604

SCHEMBL3526604

CCOC(=O)C(C#N)C1(c2cc(F)cc(Cl)c2)CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.36
APP P05067 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OPRD1 P41143 3/20 0.34
OPRM1 P35372 3/20 0.34
OPRK1 P41145 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
XPO1 O14980 1/20 0.33
PGR P06401 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3523407 0.88 JAK2 (0.42)
SCHEMBL17078046 0.84 OPRM1 (0.44) APPMAPK1MEN1ALDH1A1KMT2A
SCHEMBL3527223 0.83 OPRM1 (0.38) APPMAPTMAPK1HTTALDH1A1
SCHEMBL6264708 0.81 OPRM1 (0.43) APPMEN1KMT2AOPRD1OPRM1
SCHEMBL3523618 0.77 JAK2 (0.42) ALOX15CYP3A4
SCHEMBL3525986 0.76 KMT2A (0.48) APPHTTMEN1KMT2AOPRD1
SCHEMBL6152936 0.75 LMNA (0.40) APPMAPTKDM4EALDH1A1OPRD1
SCHEMBL3523983 0.75 CRHBP (0.41) MAPTMAPK1HTTKDM4EMEN1
SCHEMBL3523465 0.74 JAK2 (0.42) NPSR1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3529464 0.74 APP (0.47) APPMAPTMEN1ALDH1A1KMT2A

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 GRM5 313/4885APP 2907/4885MAPT 4442/4885

“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.