SCHEMBL5055974

SCHEMBL5055974

COC(=O)Cc1cc(Br)ccc1OCC(=O)N1CCN(Cc2ccc(Cl)s2)C[C@H]1C

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.59
PTGDR2 Q9Y5Y4 7/20 0.47
FPR3 P25089 1/20 0.45
GPR65 Q8IYL9 1/20 0.45
GPR35 Q9HC97 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL5060667 0.84 CCR1 (0.66) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5060058 0.76 CCR1 (0.66) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6248231 0.75 CCR1 (0.60) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6248232 0.75 CCR1 (0.60) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL4633988 0.74 RECQL (0.41) PTGDR2ALDH1A1
SCHEMBL5059254 0.73 CCR1 (0.69) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6255845 0.73 CCR1 (0.59) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6077520 0.73 CCR1 (0.62) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL6076724 0.73 CCR1 (0.58) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL5056171 0.73 CCR1 (0.64) CCR1PTGDR2FPR3GPR65GPR35

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 4304/4885PTGDR2 72/4885FPR3 4042/4885

“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.