SCHEMBL6306120

SCHEMBL6306120

O=S(=O)(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 6/20 0.46
▸ CRHR2 Q13324 6/20 0.46
▸ MCOLN3 Q8TDD5 4/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ MCOLN2 Q8IZK6 4/20 0.41
▸ MCOLN1 Q9GZU1 4/20 0.41
▸ FPR2 P25090 4/20 0.41
▸ PROKR1 Q8TCW9 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ EPHX2 P34913 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
SCHEMBL6306123 1.00 CRHBP (0.46) CRHBPCRHR2MCOLN3KMT2AMCOLN2
SCHEMBL6311363 0.92 CRHBP (0.47) CRHBPCRHR2MCOLN3KMT2AMCOLN2
SCHEMBL6311367 0.92 CRHBP (0.47) CRHBPCRHR2MCOLN3KMT2AMCOLN2
SCHEMBL6306268 0.91 KMT2A (0.47) CRHBPCRHR2MCOLN3KMT2AMCOLN2
SCHEMBL6306270 0.91 KMT2A (0.47) CRHBPCRHR2MCOLN3KMT2AMCOLN2
SCHEMBL6306126 0.86 CRHBP (0.54) CRHBPCRHR2MCOLN3KMT2AMCOLN2
SCHEMBL6306130 0.86 CRHBP (0.54) CRHBPCRHR2MCOLN3KMT2AMCOLN2
SCHEMBL6303803 0.86 CRHBP (0.47) CRHBPCRHR2MCOLN3KMT2AMCOLN2
SCHEMBL6303808 0.86 CRHBP (0.47) CRHBPCRHR2MCOLN3KMT2AMCOLN2
SCHEMBL6306235 0.84 CRHBP (0.64) CRHBPCRHR2MCOLN3KMT2AMCOLN2

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 CRHBP 1470/4885CRHR2 185/4885MCOLN3 1968/4885

“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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