SCHEMBL6077495

SCHEMBL6077495

COc1ccc(CCC(=O)N2C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]2C)c(OCC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.58
PTGDR2 Q9Y5Y4 4/20 0.47
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CPS1 P31327 1/20 0.40
ENPP2 Q13822 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6078079 0.90 CCR1 (0.60) CCR1PTGDR2ENPP2
SCHEMBL6077664 0.90 CCR1 (0.70) CCR1PTGDR2ENPP2
SCHEMBL6077196 0.88 CCR1 (0.55) CCR1PTGDR2CPS1ENPP2MEN1
SCHEMBL6076284 0.88 CCR1 (0.72) CCR1PTGDR2KDM4ELMNACYP1A2
SCHEMBL5066322 0.83 CCR1 (0.73) CCR1PTGDR2CPS1MEN1KMT2A
SCHEMBL5066317 0.83 CCR1 (0.73) CCR1PTGDR2CPS1MEN1KMT2A
SCHEMBL5066336 0.83 CCR1 (0.73) CCR1PTGDR2CPS1MEN1KMT2A
SCHEMBL6076185 0.83 CCR1 (0.55) CCR1PTGDR2ENPP2
SCHEMBL4588383 0.81 CCR1 (0.65) CCR1CPS1MEN1KMT2A
SCHEMBL4588377 0.81 CCR1 (0.65) CCR1CPS1MEN1KMT2A

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-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 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-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 CCR1 1/4885PTGDR2 190/4885KDM4E 3300/4885

“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.