SCHEMBL4036379

SCHEMBL4036379

O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1c1nc(-c2ccccn2)no1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SIGMAR1 Q99720 3/20 0.49
ACKR3 P25106 1/20 0.49
CCR1 P32246 2/20 0.48
CCR3 P51677 2/20 0.48
MCHR1 Q99705 3/20 0.45
EPHX2 P34913 4/20 0.45
CYP3A4 P08684 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
PRCP P42785 5/20 0.44

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
SCHEMBL4036380 1.00 MEN1 (0.54) MEN1KMT2ASIGMAR1ACKR3CCR1
SCHEMBL4031775 0.83 SIGMAR1 (0.60) MEN1KMT2ASIGMAR1CCR1CCR3
SCHEMBL4032891 0.81 SMN1; SMN2 (0.60) MEN1KMT2ASIGMAR1CCR1CCR3
SCHEMBL4213798 0.75 MEN1 (0.48) MEN1KMT2ASIGMAR1CCR1CCR3
SCHEMBL4031536 0.74 TSHR (0.58) MEN1KMT2ASIGMAR1CCR1CCR3
SCHEMBL4031280 0.74 TSHR (0.58) MEN1KMT2ASIGMAR1CCR1CCR3
SCHEMBL4037988 0.73 SIGMAR1 (0.55) MEN1KMT2ASIGMAR1CCR1CCR3
SCHEMBL4032532 0.71 ATM (0.55) MEN1KMT2ASIGMAR1CCR1CCR3
SCHEMBL4032329 0.71 KMT2A (0.49) KMT2ACCR3
SCHEMBL4031705 0.71 SMN1; SMN2 (0.72) KMT2ASIGMAR1

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 MEN1 4130/4885KMT2A 2580/4885SIGMAR1 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.