SCHEMBL4033461

SCHEMBL4033461

Cc1cccc(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.51
BACE1 P56817 5/20 0.51
SIGMAR1 Q99720 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BCHE P06276 3/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
HRH1 P35367 2/20 0.47
CCR3 P51677 2/20 0.47
ROCK2 O75116 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
MCHR1 Q99705 1/20 0.45

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
SCHEMBL4034085 0.82 SIGMAR1 (0.54) ACHEBACE1SIGMAR1MEN1KMT2A
SCHEMBL4034649 0.82 SIGMAR1 (0.51) ACHEBACE1SIGMAR1MEN1KMT2A
SCHEMBL4033576 0.81 SIGMAR1 (0.57) ACHEBACE1SIGMAR1MEN1KMT2A
SCHEMBL6305603 0.81 ACHE (0.78) ACHEBACE1SIGMAR1MEN1KMT2A
SCHEMBL4036032 0.81 ACHE (0.62) ACHEBACE1SIGMAR1MEN1KMT2A
SCHEMBL4034036 0.80 ACHE (0.72) ACHEBACE1SIGMAR1MEN1KMT2A
SCHEMBL4036986 0.79 ACHE (0.76) ACHEBACE1SIGMAR1MEN1KMT2A
SCHEMBL4036091 0.78 ACHE (0.59) ACHEBACE1SIGMAR1MEN1KMT2A
SCHEMBL4030938 0.77 ACHE (0.57) ACHEBACE1SIGMAR1MEN1KMT2A
SCHEMBL4033076 0.76 ACHE (0.62) ACHEBACE1SIGMAR1MEN1KMT2A

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 ACHE 2721/4885BACE1 3062/4885SIGMAR1 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.