SCHEMBL6310717

SCHEMBL6310717

O=C(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.48
▸ SLC6A12 P48065 1/20 0.47
▸ F10 P00742 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNA7 P36544 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40

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
SCHEMBL6310720 1.00 CHRM2 (0.48) CHRM2SLC6A12F10SIGMAR1CHRNB2
SCHEMBL6306139 0.90 CHRM2 (0.50) CHRM2F10SIGMAR1CHRNB2CHRNA7
SCHEMBL6306135 0.90 CHRM2 (0.50) CHRM2F10SIGMAR1CHRNB2CHRNA7
SCHEMBL6311169 0.87 RAB9A (0.52) CHRM2SIGMAR1MAPTHCRTR2
SCHEMBL6311171 0.87 RAB9A (0.52) CHRM2SIGMAR1MAPTHCRTR2
SCHEMBL6310906 0.86 CHRNA7 (0.48) CHRM2F10SIGMAR1CHRNB2CHRNA7
SCHEMBL6310911 0.86 CHRNA7 (0.48) CHRM2F10SIGMAR1CHRNB2CHRNA7
SCHEMBL6311237 0.84 SIGMAR1 (0.53) F10SIGMAR1CHRNB2CHRNA7CHRNA4
SCHEMBL6311232 0.84 SIGMAR1 (0.53) F10SIGMAR1CHRNB2CHRNA7CHRNA4
SCHEMBL6306114 0.84 GRM5 (0.49) F10SIGMAR1CHRNB2CHRNA7CHRNA4

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 CHRM2 612/4885SLC6A12 4663/4885F10 4693/4885

“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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