SCHEMBL6303738

SCHEMBL6303738

O=S(=O)(NC1CCCC1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 6/20 0.49
▸ CRHR2 Q13324 6/20 0.49
▸ MCOLN3 Q8TDD5 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CCR2 P41597 3/20 0.40
▸ GMNN O75496 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ DPP7 Q9UHL4 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
SCHEMBL6303741 1.00 CRHBP (0.49) CRHBPCRHR2MCOLN3KMT2ACCR2
SCHEMBL6305789 0.92 CRHBP (0.49) CRHBPCRHR2MCOLN3KMT2AGMNN
SCHEMBL6305784 0.92 CRHBP (0.49) CRHBPCRHR2MCOLN3KMT2AGMNN
SCHEMBL6306126 0.88 CRHBP (0.54) CRHBPCRHR2MCOLN3KMT2AMCOLN2
SCHEMBL6306130 0.88 CRHBP (0.54) CRHBPCRHR2MCOLN3KMT2AMCOLN2
SCHEMBL6303780 0.86 CRHBP (0.66) CRHBPCRHR2MCOLN3KMT2AGMNN
SCHEMBL6303778 0.86 CRHBP (0.66) CRHBPCRHR2MCOLN3KMT2AGMNN
SCHEMBL6303808 0.86 CRHBP (0.47) CRHBPCRHR2MCOLN3KMT2AFPR2
SCHEMBL6303803 0.86 CRHBP (0.47) CRHBPCRHR2MCOLN3KMT2AFPR2
SCHEMBL6303617 0.85 CRHBP (0.52) 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.

Send feedback