SCHEMBL4033268

SCHEMBL4033268

CN(CCNC(=O)Cc1ccccc1F)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.52
CCR3 P51677 1/20 0.50
CXCR3 P49682 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.47
CHRM4 P08173 1/20 0.45
CCR5 P51681 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4033274 0.83 SIGMAR1 (0.55) SIGMAR1CCR3MEN1KMT2ANPC1
SCHEMBL4037010 0.77 CXCR3 (0.50) SIGMAR1CCR3CXCR3MEN1KMT2A
SCHEMBL5832503 0.74 CCR3 (0.60) SIGMAR1CCR3MEN1KMT2ANPC1
SCHEMBL12677055 0.71 CCR5 (0.59) SIGMAR1CCR3CXCR3MEN1KMT2A
SCHEMBL5582856 0.71 SIGMAR1 (0.52) SIGMAR1CCR3MEN1KMT2AKDM4E
SCHEMBL4034421 0.70 KCNH2 (0.61) SIGMAR1CCR3MEN1KMT2ACCR5
SCHEMBL8035527 0.69 SIGMAR1 (1.00) SIGMAR1NPC1
SCHEMBL4032073 0.69 SIGMAR1 (0.79) SIGMAR1MEN1KMT2A
SCHEMBL8023923 0.69 SIGMAR1 (1.00) SIGMAR1
SCHEMBL12677183 0.68 SIGMAR1 (0.58) SIGMAR1CXCR3MEN1KMT2ACHRM4

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 SIGMAR1 126/4885CCR3 9/4885CXCR3 3/4885

“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.