SCHEMBL4033634

SCHEMBL4033634

Clc1nc(NCCNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc(NC2CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 3/20 0.45
ROCK2 O75116 2/20 0.44
MCHR1 Q99705 2/20 0.44
CCR3 P51677 5/20 0.43
HRH1 P35367 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL7488216 0.83 ACHE (0.52) MEN1KMT2ASIGMAR1ROCK2MCHR1
SCHEMBL13888608 0.76 MEN1 (0.58) MEN1KMT2ASIGMAR1MCHR1CCR3
SCHEMBL7491507 0.76 MEN1 (0.58) MEN1KMT2ASIGMAR1MCHR1CCR3
SCHEMBL4031603 0.75 ACHE (0.48) MEN1KMT2ASIGMAR1ROCK2MCHR1
SCHEMBL7539398 0.75 MEN1 (0.42) MEN1KMT2ASIGMAR1ROCK2MCHR1
SCHEMBL13888638 0.74 MEN1 (0.49) MEN1KMT2ASIGMAR1ROCK2MCHR1
SCHEMBL4036032 0.74 ACHE (0.62) MEN1KMT2ASIGMAR1CCR3HRH1
SCHEMBL7596643 0.73 HRH1 (0.48) SIGMAR1CCR3HRH1KDM4E
SCHEMBL1748462 0.73 SSTR5 (0.61) HRH1
SCHEMBL3603394 0.73 HRH3 (0.59) MEN1KMT2AROCK2MCHR1KDM4E

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 2580/4885SIGMAR1 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.