SCHEMBL4031883

SCHEMBL4031883

O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
CCR3 P51677 5/20 0.74
MCHR1 Q99705 8/20 0.73
SIGMAR1 Q99720 3/20 0.73
SLC6A12 P48065 1/20 0.73
TMEM97 Q5BJF2 1/20 0.73
DRD2 P14416 2/20 0.61
DRD4 P21917 2/20 0.61
HTR2A P28223 2/20 0.61
PRKAA2 P54646 1/20 0.60
CYP2D6 P10635 1/20 0.59
CHRM1 P11229 1/20 0.59
ATM Q13315 1/20 0.59
GPR55 Q9Y2T6 1/20 0.59

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 0.90 KMT2A (0.81) MEN1KMT2ACCR3MCHR1SIGMAR1
SCHEMBL4034737 0.87 SIGMAR1 (0.81) MEN1KMT2ACCR3SIGMAR1
SCHEMBL18844433 0.85 CCR3 (1.00) CCR3MCHR1SIGMAR1SLC6A12TMEM97
SCHEMBL1425074 0.84 SIGMAR1 (1.00) MEN1KMT2ACCR3MCHR1SIGMAR1
Hydrochloric Acid SCHEMBL9785680 0.83 SIGMAR1 (0.97) MEN1KMT2ACCR3MCHR1SIGMAR1
SCHEMBL17946338 0.82 KMT2A (0.80) MEN1KMT2AMCHR1SIGMAR1SLC6A12
SCHEMBL4031765 0.82 KMT2A (0.72) MEN1KMT2AMCHR1SIGMAR1DRD2
SCHEMBL2213082 0.82 SIGMAR1 (0.76) MEN1KMT2ACCR3MCHR1SIGMAR1
SCHEMBL17950985 0.82 POLB (0.63) MEN1KMT2AMCHR1SIGMAR1
SCHEMBL6312739 0.82 SIGMAR1 (0.76) MEN1KMT2AMCHR1SIGMAR1SLC6A12

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 MEN1 4130/4885KMT2A 2580/4885CCR3 9/4885

“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.