SCHEMBL4033576

SCHEMBL4033576

Clc1ccc(CN2CCC(NCc3c(Cl)cccc3Cl)CC2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ACHE P22303 8/20 0.56
BACE1 P56817 8/20 0.56
BCHE P06276 5/20 0.56
HRH1 P35367 2/20 0.53
CCR3 P51677 2/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GLA P06280 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL4036032 0.89 ACHE (0.62) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL4036986 0.87 ACHE (0.76) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL4033076 0.84 ACHE (0.62) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL6305603 0.84 ACHE (0.78) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL4033063 0.83 ACHE (0.59) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL6305266 0.83 ACHE (0.72) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL4034036 0.83 ACHE (0.72) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL4036091 0.83 ACHE (0.59) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL4030938 0.82 ACHE (0.57) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL4033461 0.81 ACHE (0.51) SIGMAR1MEN1KMT2AACHEBACE1

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 SIGMAR1 126/4885MEN1 4130/4885KMT2A 2580/4885

“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.