SCHEMBL6157931

SCHEMBL6157931

NCCNC(=O)c1cc(Cl)ccc1OCC(=O)N1C2CCC1CC(Oc1ccc(F)cc1)C2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.57
EPHX2 P34913 2/20 0.40
PTGER4 P35408 1/20 0.40
TSHR P16473 1/20 0.39
AKR1B1 P15121 1/20 0.37
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
CHRM1 P11229 1/20 0.36
FPR3 P25089 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
GPR35 Q9HC97 1/20 0.36
LMNA P02545 1/20 0.35
SCN9A Q15858 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL6761988 0.93 CCR1 (0.49) CCR1EPHX2PTGER4TSHRAKR1B1
SCHEMBL6761986 0.93 CCR1 (0.49) CCR1EPHX2PTGER4TSHRAKR1B1
SCHEMBL6761308 0.92 CCR1 (0.48) CCR1EPHX2PTGER4TSHRCHRM1
SCHEMBL6761312 0.92 CCR1 (0.48) CCR1EPHX2PTGER4TSHRCHRM1
SCHEMBL6761373 0.91 CCR1 (0.47) CCR1EPHX2PTGER4TSHRCHRM1
SCHEMBL6761369 0.91 CCR1 (0.47) CCR1EPHX2PTGER4TSHRCHRM1
SCHEMBL6761288 0.90 CCR1 (0.46) CCR1EPHX2PTGER4TSHRAKR1B1
SCHEMBL6761292 0.90 CCR1 (0.46) CCR1EPHX2PTGER4TSHRAKR1B1
SCHEMBL6760348 0.90 CCR1 (0.48) CCR1EPHX2PTGER4TSHRCHRM1
SCHEMBL6760347 0.90 CCR1 (0.48) CCR1EPHX2PTGER4TSHRCHRM1

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-20040063688-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 US claimed
EP-1525201-A1 BICYCLIC PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CCR1 CHEMOKINE RECEPTOR Pfizer Products Inc. (US) 2005-04-27 EP disclosed
US-20040063688-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 US disclosed
WO-2004009588-A1 BICYCLIC PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CCR1 CHEMOKINE RECEPTOR PFIZER PRODUCTS INC. (US) 2004-01-29 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-20040063688-A1 Novel piperidine derivatives CCR1, CCR3, CCR2 CCR1 1/4885EPHX2 3279/4885PTGER4 831/4885

“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.