SCHEMBL4031603

SCHEMBL4031603

OCCNc1nccc(NCCNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.48
BACE1 P56817 8/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
HRH1 P35367 3/20 0.43
CCR3 P51677 3/20 0.43
MCHR1 Q99705 1/20 0.43
ROCK2 O75116 1/20 0.41

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 0.89 ACHE (0.52) ACHEBACE1MEN1KMT2ASIGMAR1
SCHEMBL13888633 0.81 MEN1 (0.51) ACHEBACE1MEN1KMT2ASIGMAR1
SCHEMBL13888638 0.77 MEN1 (0.49) ACHEBACE1MEN1KMT2ASIGMAR1
SCHEMBL4032279 0.76 MEN1 (0.44) MEN1KMT2ASIGMAR1HRH1CCR3
SCHEMBL4033634 0.75 MEN1 (0.47) MEN1KMT2ASIGMAR1HRH1CCR3
SCHEMBL6394743 0.75 CCR3 (0.47) HRH1CCR3
SCHEMBL13888623 0.75 MEN1 (0.54) ACHEBACE1MEN1KMT2ASIGMAR1
SCHEMBL13888568 0.74 SYK (0.41) ACHEBACE1
SCHEMBL6396292 0.73 HRH1 (0.53) HRH1CCR3
SCHEMBL6397083 0.73 HRH1 (0.53) HRH1CCR3

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 3 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

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 ACHE 2721/4885BACE1 3062/4885MEN1 4130/4885

“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.