SCHEMBL4033600

SCHEMBL4033600

O=C(CSc1ccc(C(F)(F)F)cn1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.56
CCR1 P32246 3/20 0.56
SIGMAR1 Q99720 7/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MCHR1 Q99705 2/20 0.49
TEAD1 P28347 1/20 0.48
ACKR3 P25106 2/20 0.47
CCR2 P41597 1/20 0.46

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
SCHEMBL4032574 0.80 SIGMAR1 (0.77) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4030924 0.79 SIGMAR1 (0.61) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4031095 0.77 SIGMAR1 (0.74) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4214750 0.77 SIGMAR1 (0.57) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4031156 0.77 SIGMAR1 (0.66) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4030905 0.76 CCR3 (0.64) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4206613 0.76 SIGMAR1 (0.69) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4207869 0.75 SIGMAR1 (0.52) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2213082 0.74 SIGMAR1 (0.76) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2214943 0.74 CCR3 (0.64) CCR3CCR1SIGMAR1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP claimed
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 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-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 CCR3 9/4885CCR1 13/4885SIGMAR1 126/4885

“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.