SCHEMBL4036556

SCHEMBL4036556

Clc1ccc(CN2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.58
SIGMAR1 Q99720 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
OPRM1 P35372 1/20 0.51
JAK1 P23458 1/20 0.49
HTR2B P41595 2/20 0.49
ROCK2 O75116 2/20 0.49
CCR1 P32246 1/20 0.49
CCR3 P51677 1/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SSTR5 P35346 1/20 0.48
HRH1 P35367 1/20 0.48
KCNN1 Q92952 1/20 0.47
KCNN2 Q9H2S1 1/20 0.47
KCNN3 Q9UGI6 1/20 0.47

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
SCHEMBL3748349 0.88 KCNH2 (0.63) KCNH2KMT2AJAK1HTR2BROCK2
SCHEMBL4491399 0.85 OPRM1 (0.49) SIGMAR1MEN1KMT2AOPRM1HTR2B
SCHEMBL7416758 0.78 KCNH2 (0.65) KCNH2JAK1KCNN3
SCHEMBL6325942 0.77 SIGMAR1 (0.46) SIGMAR1MEN1KMT2AOPRM1HTR2B
SCHEMBL11266594 0.77 KCNH2 (0.80) KCNH2SIGMAR1JAK1GAAMAPT
SCHEMBL9698375 0.76 KCNH2 (0.66) KCNH2MEN1KMT2AJAK1KCNN3
SCHEMBL9697190 0.76 KCNH2 (0.66) KCNH2JAK1KCNN3
SCHEMBL5006579 0.76 SSTR5 (0.55) KCNH2HTR2BSSTR5HRH1
SCHEMBL1101038 0.75 KCNH2 (0.77) KCNH2SSTR5
SCHEMBL28406604 0.74 HDAC6 (0.57) KCNH2TDP1KCNN3

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 6 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
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 KCNH2 1915/4885SIGMAR1 126/4885MEN1 4130/4885

“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.