SCHEMBL4032305

SCHEMBL4032305

O=C(CCSc1ccccc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.72
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
CCR1 P32246 1/20 0.58
CCR3 P51677 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
MCHR1 Q99705 1/20 0.52

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
SCHEMBL4031095 0.90 SIGMAR1 (0.74) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL2212156 0.83 SIGMAR1 (0.56) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4034199 0.83 SIGMAR1 (0.73) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4034267 0.82 CCR3 (0.84) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4036327 0.82 SIGMAR1 (0.72) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4202919 0.81 SIGMAR1 (0.70) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL2213082 0.80 SIGMAR1 (0.76) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL6312739 0.80 SIGMAR1 (0.76) SIGMAR1MEN1KMT2AMCHR1
Lithium Ion SCHEMBL4034196 0.80 SIGMAR1 (0.69) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4211485 0.79 SIGMAR1 (0.68) SIGMAR1MEN1KMT2ACCR1CCR3

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 7 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
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 126/4885MEN1 4130/4885KMT2A 2580/4885

“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.