SCHEMBL4033626

SCHEMBL4033626

COc1ccc(CCCC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.63
MCHR1 Q99705 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.52
ATM Q13315 1/20 0.52
HTR4 Q13639 2/20 0.50
CCR3 P51677 1/20 0.50
UTS2R Q9UKP6 1/20 0.49
CCR8 P51685 1/20 0.49

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
SCHEMBL12511780 0.83 SIGMAR1 (0.61) SIGMAR1MCHR1SMN1; SMN2MEN1KMT2A
SCHEMBL4031569 0.82 SIGMAR1 (0.67) SIGMAR1MCHR1SMN1; SMN2MEN1KMT2A
SCHEMBL2215875 0.81 SIGMAR1 (0.60) SIGMAR1MCHR1SMN1; SMN2MEN1KMT2A
SCHEMBL4032073 0.80 SIGMAR1 (0.79) SIGMAR1MCHR1MEN1KMT2AATM
SCHEMBL4207267 0.80 MCHR1 (0.62) SIGMAR1MCHR1SMN1; SMN2MEN1KMT2A
SCHEMBL17950912 0.79 MCHR1 (0.58) SIGMAR1MCHR1SMN1; SMN2MEN1KMT2A
SCHEMBL7487718 0.78 SIGMAR1 (0.74) SIGMAR1MCHR1SMN1; SMN2MEN1KMT2A
SCHEMBL4034921 0.78 MCHR1 (0.77) SIGMAR1MCHR1MEN1KMT2ACCR8
SCHEMBL4033285 0.78 MCHR1 (0.65) SIGMAR1MCHR1MEN1KMT2ACCR3
SCHEMBL2212835 0.78 MCHR1 (0.55) SIGMAR1MCHR1SMN1; SMN2MEN1KMT2A

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 SIGMAR1 126/4885MCHR1 408/4885SMN1; SMN2 3217/4885

“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.