SCHEMBL4037010

SCHEMBL4037010

CN(CCNC(=O)OC(C)(C)C)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MCHR1 Q99705 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
UTS2R Q9UKP6 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
CHRM4 P08173 4/20 0.44
CCR3 P51677 2/20 0.44
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL4039589 0.84 MCHR1 (0.56) SMN1; SMN2KDM4EALDH1A1MCHR1MEN1
SCHEMBL6314471 0.81 CHRM4 (0.66) KMT2ASIGMAR1CHRM4
SCHEMBL4033268 0.77 SIGMAR1 (0.52) CXCR3SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL12346705 0.75 NAMPT (0.46) SMN1; SMN2MCHR1SIGMAR1CHRM4HRH3
SCHEMBL1495989 0.75 EPHX1 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL5787121 0.73 POLB (0.48) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6845413 0.73 POLB (0.48) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL25834169 0.73 TSHR (0.54) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL12046265 0.73 CCR3 (0.61) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL24951947 0.72 EPHX1 (0.54) ALDH1A1MEN1KMT2ACHRM4CHRM2

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 5 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 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 CXCR3 3/4885SMN1; SMN2 3217/4885KDM4E 2699/4885

“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.