SCHEMBL5059530

SCHEMBL5059530

CC1CN(C(=O)CC(CNC(=O)NCCCCl)c2ccc(Cl)cc2)C(C)CN1Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.51
SLC6A3 Q01959 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
NQO2 P16083 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
ACTR2 P61160 1/20 0.38
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
FPR3 P25089 1/20 0.35
GPR65 Q8IYL9 1/20 0.35
GPR35 Q9HC97 1/20 0.35
OPRL1 P41146 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
SCHEMBL5059535 1.00 CCR1 (0.51) CCR1SLC6A3MAPK11MAPK14MAPK13
SCHEMBL5059522 1.00 CCR1 (0.51) CCR1SLC6A3MAPK11MAPK14MAPK13
SCHEMBL5065956 0.90 CCR1 (0.49) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5065954 0.90 CCR1 (0.49) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5065951 0.90 CCR1 (0.49) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5066468 0.87 CCR1 (0.51) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5066470 0.87 CCR1 (0.51) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5066465 0.87 CCR1 (0.51) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5061149 0.87 CCR1 (0.47) CCR1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5061148 0.87 CCR1 (0.47) CCR1MAPK11MAPK14MAPK13MAPK12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US claimed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP 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-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 CCR1 4304/4885SLC6A3 4415/4885MAPK11 3015/4885

“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.