SCHEMBL4035836

SCHEMBL4035836

CC(=O)OCc1ccc(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)o1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MCHR1 Q99705 2/20 0.50
SIGMAR1 Q99720 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CCR3 P51677 5/20 0.46
HRH1 P35367 4/20 0.46
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
UTS2R Q9UKP6 2/20 0.42

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
SCHEMBL4041456 0.84 MEN1 (0.48) SMN1; SMN2KDM4EALDH1A1MCHR1SIGMAR1
SCHEMBL4039754 0.81 ACHE (0.49) SMN1; SMN2KDM4EALDH1A1MCHR1SIGMAR1
SCHEMBL4034102 0.79 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1MCHR1SIGMAR1
SCHEMBL4036032 0.76 ACHE (0.62) SMN1; SMN2SIGMAR1MEN1KMT2ACCR3
SCHEMBL4040013 0.76 SIGMAR1 (0.54) SMN1; SMN2KDM4EALDH1A1MCHR1SIGMAR1
SCHEMBL12511819 0.74 SIGMAR1 (0.70) SMN1; SMN2KDM4EALDH1A1MCHR1SIGMAR1
SCHEMBL4034036 0.73 ACHE (0.72) SMN1; SMN2KDM4EALDH1A1MCHR1SIGMAR1
SCHEMBL4036091 0.73 ACHE (0.59) SMN1; SMN2KDM4EALDH1A1MCHR1SIGMAR1
SCHEMBL6311795 0.73 MEN1 (0.74) MCHR1SIGMAR1MEN1KMT2ACCR3
SCHEMBL4033576 0.72 SIGMAR1 (0.57) SMN1; SMN2SIGMAR1MEN1KMT2ACCR3

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.