SCHEMBL4034102

SCHEMBL4034102

CCOC(=O)c1cc(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)oc1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MCHR1 Q99705 1/20 0.48
CCR3 P51677 7/20 0.47
SIGMAR1 Q99720 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH1 P35367 4/20 0.44
GAA P10253 1/20 0.43
SSTR1 P30872 1/20 0.42
SSTR5 P35346 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
CCR1 P32246 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
SCHEMBL4035836 0.79 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1MCHR1CCR3
SCHEMBL4041456 0.77 MEN1 (0.48) SMN1; SMN2KDM4EALDH1A1MCHR1CCR3
SCHEMBL4039754 0.77 ACHE (0.49) SMN1; SMN2KDM4EALDH1A1MCHR1CCR3
SCHEMBL4036091 0.76 ACHE (0.59) SMN1; SMN2KDM4EALDH1A1MCHR1CCR3
SCHEMBL4036032 0.74 ACHE (0.62) SMN1; SMN2CCR3SIGMAR1MEN1KMT2A
SCHEMBL4034036 0.73 ACHE (0.72) SMN1; SMN2KDM4EALDH1A1MCHR1CCR3
SCHEMBL5744006 0.72 KDM4E (1.00) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6305603 0.72 ACHE (0.78) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL4034063 0.72 MEN1 (0.66) SMN1; SMN2KDM4EALDH1A1MCHR1CCR3
SCHEMBL4040013 0.72 SIGMAR1 (0.54) SMN1; SMN2KDM4EALDH1A1MCHR1CCR3

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 SMN1; SMN2 3217/4885KDM4E 2699/4885ALDH1A1 1952/4885

“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.