SCHEMBL6306135

SCHEMBL6306135

O=C(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ SLC18A3 Q16572 1/20 0.46
▸ F10 P00742 1/20 0.45
▸ FAAH O00519 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CCR3 P51677 1/20 0.43
▸ HCRTR1 O43613 2/20 0.43

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
SCHEMBL6306139 1.00 CHRM2 (0.50) CHRM2CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6307718 0.90 CYP2C9 (0.48) CHRM2CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6311003 0.90 CCR3 (0.51) CHRM2CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6307724 0.90 CYP2C9 (0.48) CHRM2CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6311005 0.90 CCR3 (0.51) CHRM2CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6310720 0.90 CHRM2 (0.48) CHRM2F10SIGMAR1CHRNB2CHRNA7
SCHEMBL6310717 0.90 CHRM2 (0.48) CHRM2F10SIGMAR1CHRNB2CHRNA7
SCHEMBL6310636 0.87 MCOLN2 (0.48) CHRM2SLC18A3F10ALDH1A1CCR3
SCHEMBL6310642 0.87 MCOLN2 (0.48) CHRM2SLC18A3F10ALDH1A1CCR3
SCHEMBL6312012 0.87 CYP2C9 (0.51) CHRM2CYP2C9CYP2C19MAPK14F10

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 4 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
EP-1453825-A1 N-UREIDO-PIPERIDINES AS ANTAGONISTS VIII FOR CCR-3 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2004-09-08 — — EP disclosed
US-20030229121-A1 Piperidine CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2003-12-11 — — US disclosed
WO-2003045937-A1 N-UREIDO-PIPERIDINES AS ANTAGONISTS VIII FOR CCR-3 RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 — — WO 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 CHRM2 612/4885CYP2C9 2395/4885CYP2C19 2986/4885

“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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