SCHEMBL4036757

SCHEMBL4036757

COc1cccc(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1OCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.63
ACHE P22303 3/20 0.63
BACE1 P56817 3/20 0.63
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 1/20 0.56
SIGMAR1 Q99720 5/20 0.51
ATM Q13315 1/20 0.50
MCHR1 Q99705 1/20 0.50
SLC6A12 P48065 1/20 0.49
DRD3 P35462 1/20 0.47
TACR2 P21452 1/20 0.47
TACR1 P25103 1/20 0.47
HRH1 P35367 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL13888567 0.93 ACHE (0.60) BCHEACHEBACE1MEN1KMT2A
SCHEMBL4032073 0.78 SIGMAR1 (0.79) MEN1KMT2ASIGMAR1ATMMCHR1
SCHEMBL4036117 0.75 ACHE (0.56) BCHEACHEBACE1MEN1KMT2A
SCHEMBL4036766 0.75 ACHE (0.54) BCHEACHEBACE1MEN1KMT2A
SCHEMBL4033889 0.73 MCHR1 (0.58) MEN1KMT2ASIGMAR1MCHR1CCR3
SCHEMBL3145163 0.73 MEN1 (0.55) BCHEACHEMEN1KMT2APOLB
SCHEMBL6311795 0.73 MEN1 (0.74) BCHEACHEBACE1MEN1KMT2A
SCHEMBL4033576 0.72 SIGMAR1 (0.57) BCHEACHEBACE1MEN1KMT2A
SCHEMBL4036986 0.72 ACHE (0.76) BCHEACHEBACE1MEN1KMT2A
SCHEMBL4036032 0.72 ACHE (0.62) BCHEACHEBACE1MEN1KMT2A

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 BCHE 3222/4885ACHE 2721/4885BACE1 3062/4885

“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.