SCHEMBL4031765

SCHEMBL4031765

O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccoc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
MCHR1 Q99705 5/20 0.66
SIGMAR1 Q99720 2/20 0.60
DRD4 P21917 2/20 0.54
UTS2R Q9UKP6 2/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 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
SCHEMBL4035825 0.83 KMT2A (0.81) KMT2AMEN1MCHR1SIGMAR1DRD4
SCHEMBL4031883 0.82 MEN1 (0.79) KMT2AMEN1MCHR1SIGMAR1DRD4
SCHEMBL2213082 0.80 SIGMAR1 (0.76) KMT2AMEN1MCHR1SIGMAR1KDM4E
SCHEMBL6312739 0.80 SIGMAR1 (0.76) KMT2AMEN1MCHR1SIGMAR1KDM4E
SCHEMBL4034726 0.80 KMT2A (0.78) KMT2AMEN1MCHR1SIGMAR1DRD4
SCHEMBL12511819 0.79 SIGMAR1 (0.70) KMT2AMEN1MCHR1SIGMAR1UTS2R
SCHEMBL4976899 0.79 SIGMAR1 (0.70) KMT2AMEN1MCHR1SIGMAR1KDM4E
SCHEMBL17946338 0.78 KMT2A (0.80) KMT2AMEN1MCHR1SIGMAR1DRD4
SCHEMBL7487718 0.77 SIGMAR1 (0.74) KMT2AMEN1MCHR1SIGMAR1KDM4E
SCHEMBL4234354 0.77 MCHR1 (0.56) MCHR1DRD4

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 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 KMT2A 2580/4885MEN1 4130/4885MCHR1 408/4885

“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.