SCHEMBL4039758

SCHEMBL4039758

O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
SIGMAR1 Q99720 3/20 0.65
EPHX2 P34913 1/20 0.65
MEN1 O00255 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
MAPK1 P28482 1/20 0.64
DRD2 P14416 1/20 0.62
DRD4 P21917 1/20 0.62
DRD3 P35462 1/20 0.62
CCR3 P51677 1/20 0.60
DCUN1D1 Q96GG9 7/20 0.60
UBE2M P61081 5/20 0.60
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
MCHR1 Q99705 1/20 0.59
F10 P00742 1/20 0.55

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
SCHEMBL4034536 0.86 MCHR1 (0.65) KMT2ASIGMAR1MEN1MAPTDRD2
SCHEMBL6312739 0.84 SIGMAR1 (0.76) KMT2ASIGMAR1MEN1SMN1; SMN2LMNA
SCHEMBL18658000 0.83 EPHX2 (0.71) KMT2AEPHX2MEN1SMN1; SMN2LMNA
SCHEMBL6313749 0.83 CXCR3 (0.77) EPHX2SMN1; SMN2HTT
SCHEMBL6313755 0.83 CXCR3 (0.77) EPHX2SMN1; SMN2HTT
SCHEMBL6313752 0.83 CXCR3 (0.77) EPHX2SMN1; SMN2HTT
SCHEMBL18640380 0.83 DCUN1D1 (0.74) KMT2ASIGMAR1EPHX2SMN1; SMN2LMNA
SCHEMBL4976899 0.83 SIGMAR1 (0.70) KMT2ASIGMAR1MEN1SMN1; SMN2LMNA
SCHEMBL12511819 0.83 SIGMAR1 (0.70) KMT2ASIGMAR1MEN1SMN1; SMN2LMNA
SCHEMBL2213082 0.81 SIGMAR1 (0.76) KMT2ASIGMAR1MEN1SMN1; SMN2CCR3

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 2580/4885SIGMAR1 126/4885EPHX2 1675/4885

“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.