SCHEMBL5064745

SCHEMBL5064745

COC(=O)c1cc(Br)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.71
FPR3 P25089 1/20 0.47
GPR65 Q8IYL9 1/20 0.47
GPR35 Q9HC97 1/20 0.47
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL5060055 0.93 CCR1 (0.83) CCR1FPR3GPR65GPR35MAPK13
SCHEMBL5060057 0.93 CCR1 (0.83) CCR1FPR3GPR65GPR35MAPK13
SCHEMBL5060054 0.93 CCR1 (0.83) CCR1FPR3GPR65GPR35MAPK13
SCHEMBL5066515 0.92 CCR1 (0.73) CCR1FPR3GPR65GPR35MAPK13
SCHEMBL5066509 0.92 CCR1 (0.73) CCR1FPR3GPR65GPR35MAPK13
SCHEMBL5066506 0.92 CCR1 (0.73) CCR1FPR3GPR65GPR35MAPK13
SCHEMBL5972312 0.90 CCR1 (0.84) CCR1FPR3GPR65GPR35
SCHEMBL4588922 0.90 CCR1 (0.84) CCR1FPR3GPR65GPR35
SCHEMBL5060948 0.90 CCR1 (0.70) CCR1FPR3GPR65GPR35MAPK13
SCHEMBL5060949 0.90 CCR1 (0.70) CCR1FPR3GPR65GPR35MAPK13

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 2 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

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 4304/4885FPR3 4042/4885GPR65 938/4885

“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.