SCHEMBL4031349

SCHEMBL4031349

Clc1ccc(CN2CCC(NCc3ccnc4ccccc34)CC2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.57
KCNH2 Q12809 2/20 0.57
CCR3 P51677 1/20 0.54
BCHE P06276 4/20 0.53
ACHE P22303 4/20 0.53
BACE1 P56817 4/20 0.53
SIGMAR1 Q99720 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL4033980 0.81 ACHE (0.53) CCR3BCHEACHEBACE1SIGMAR1
SCHEMBL4034085 0.81 SIGMAR1 (0.54) CCR3BCHEACHEBACE1SIGMAR1
SCHEMBL4036986 0.80 ACHE (0.76) CCR3BCHEACHEBACE1SIGMAR1
SCHEMBL4036032 0.79 ACHE (0.62) CCR3BCHEACHEBACE1SIGMAR1
SCHEMBL4040793 0.79 ACHE (0.52) KCNH2CCR3BCHEACHEBACE1
SCHEMBL9582840 0.78 MEN1 (0.61) KCNH2CCR3BCHEACHEBACE1
SCHEMBL4034649 0.78 SIGMAR1 (0.51) CCR3BCHEACHEBACE1SIGMAR1
SCHEMBL4030938 0.78 ACHE (0.57) CCR3BCHEACHEBACE1SIGMAR1
SCHEMBL4033576 0.77 SIGMAR1 (0.57) CCR3BCHEACHEBACE1SIGMAR1
SCHEMBL663835 0.76 TACR1 (0.52) TACR1

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 TACR1 42/4885KCNH2 1915/4885CCR3 9/4885

“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.