SCHEMBL4034267

SCHEMBL4034267

O=C(CCSc1nc2ccccc2s1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.84
CCR1 P32246 6/20 0.84
SIGMAR1 Q99720 3/20 0.58
LTA4H P09960 3/20 0.53
KCNH2 Q12809 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL18840726 0.91 CCR3 (1.00) CCR3CCR1SIGMAR1LTA4HKCNH2
SCHEMBL18840703 0.82 CCR3 (1.00) CCR3CCR1SIGMAR1LTA4HKCNH2
SCHEMBL4032305 0.82 SIGMAR1 (0.72) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL14454576 0.81 CCR3 (0.87) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL5489840 0.81 CCR3 (1.00) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL18840715 0.81 CCR3 (1.00) CCR3CCR1SIGMAR1LTA4HKCNH2
SCHEMBL18840690 0.81 CCR3 (1.00) CCR3CCR1SIGMAR1LTA4HKCNH2
SCHEMBL10358637 0.79 LMNA (0.62) CCR3CCR1MEN1KMT2AALDH1A1
SCHEMBL2213011 0.78 CCR3 (0.57) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL18840724 0.78 CCR3 (1.00) CCR3CCR1MEN1KMT2AHPGD

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.