SCHEMBL6312412

SCHEMBL6312412

CNc1nc(N)nc(C)c1CCNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MCHR1 Q99705 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CCR3 P51677 4/20 0.41
CCR1 P32246 2/20 0.41
DCPS Q96C86 1/20 0.41
ROCK2 O75116 2/20 0.41
HRH1 P35367 2/20 0.40
NSD2 O96028 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4040765 0.90 MEN1 (0.48) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL4033625 0.85 MEN1 (0.43) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL7491507 0.76 MEN1 (0.58) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL4033537 0.74 MEN1 (0.43) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL13888608 0.74 MEN1 (0.58) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL4034063 0.72 MEN1 (0.66) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL7600260 0.72 HRH1 (0.48) KDM4ECCR3HRH1
SCHEMBL4034625 0.71 SIGMAR1 (0.60) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL7485667 0.70 MEN1 (0.43) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL4036032 0.70 ACHE (0.62) MEN1KMT2ASIGMAR1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2580/4885MCHR1 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.