SCHEMBL4033625

SCHEMBL4033625

CNc1nc(C)c(CCNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MCHR1 Q99705 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
ROCK2 O75116 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR3 P51677 4/20 0.40
CCR1 P32246 1/20 0.40
HRH1 P35367 3/20 0.39
DCPS Q96C86 1/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 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) MEN1KMT2AMCHR1SIGMAR1ROCK2
SCHEMBL6312412 0.85 MEN1 (0.46) MEN1KMT2AMCHR1SIGMAR1ROCK2
SCHEMBL7491507 0.76 MEN1 (0.58) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL13888761 0.75 ROCK2 (0.39) MEN1KMT2AMCHR1SIGMAR1ROCK2
SCHEMBL13888608 0.74 MEN1 (0.58) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL4032279 0.73 MEN1 (0.44) MEN1KMT2AMCHR1SIGMAR1ROCK2
SCHEMBL4034625 0.71 SIGMAR1 (0.60) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2
SCHEMBL4033537 0.70 MEN1 (0.43) MEN1KMT2AMCHR1SIGMAR1ROCK2
SCHEMBL7485667 0.70 MEN1 (0.43) MEN1KMT2AMCHR1SIGMAR1ROCK2
SCHEMBL4034063 0.70 MEN1 (0.66) MEN1KMT2AMCHR1SIGMAR1SMN1; SMN2

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 2580/4885MCHR1 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.