SCHEMBL6312012

SCHEMBL6312012

COc1ccccc1C(=O)N[C@@H]1CCC[C@H]1N1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ MCOLN2 Q8IZK6 1/20 0.48
▸ MCOLN1 Q9GZU1 1/20 0.48
▸ CHRM2 P08172 1/20 0.45
▸ F10 P00742 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ CCR3 P51677 3/20 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
SCHEMBL6312008 1.00 CYP2C9 (0.51) CYP2C9CYP2C19MAPK14MCOLN2MCOLN1
SCHEMBL6311005 0.87 CCR3 (0.51) CYP2C9CYP2C19MAPK14CHRM2F10
SCHEMBL6311003 0.87 CCR3 (0.51) CYP2C9CYP2C19MAPK14CHRM2F10
SCHEMBL6306139 0.87 CHRM2 (0.50) CYP2C9CYP2C19MAPK14CHRM2F10
SCHEMBL6306135 0.87 CHRM2 (0.50) CYP2C9CYP2C19MAPK14CHRM2F10
SCHEMBL6304057 0.86 CCR3 (0.56) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL6304055 0.86 CCR3 (0.56) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL6307724 0.85 CYP2C9 (0.48) CYP2C9CYP2C19MAPK14CHRM2F10
SCHEMBL6307718 0.85 CYP2C9 (0.48) CYP2C9CYP2C19MAPK14CHRM2F10
SCHEMBL6310636 0.83 MCOLN2 (0.48) MCOLN2MCOLN1CHRM2F10MEN1

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-6977265-B2 Piperidine CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2005-12-20 — — US disclosed
US-20030229121-A1 Piperidine CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2003-12-11 — — 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-20030229121-A1 Piperidine CCR-3 receptor antagonists CCR1, CCR3, CCRL2 CYP2C9 2395/4885CYP2C19 2986/4885MAPK14 4011/4885

“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.

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