SCHEMBL4032345

SCHEMBL4032345

Cn1c(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
LMNA P02545 1/20 0.59
DRD2 P14416 6/20 0.51
GRM2 Q14416 6/20 0.51
DRD4 P21917 5/20 0.51
DRD3 P35462 5/20 0.51
CCR1 P32246 1/20 0.49
CCR3 P51677 1/20 0.49
MEN1 O00255 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
ACHE P22303 4/20 0.47
BACE1 P56817 4/20 0.47
BCHE P06276 3/20 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
SCHEMBL4034649 0.78 SIGMAR1 (0.51) KMT2ADRD2DRD4DRD3CCR1
SCHEMBL4036986 0.78 ACHE (0.76) KMT2ACCR3MEN1SIGMAR1ACHE
SCHEMBL4036032 0.78 ACHE (0.62) KMT2ACCR3MEN1SIGMAR1ACHE
SCHEMBL4040793 0.78 ACHE (0.52) KMT2ACCR1CCR3MEN1SIGMAR1
SCHEMBL4033980 0.78 ACHE (0.53) KMT2ACCR1CCR3MEN1SIGMAR1
SCHEMBL4033576 0.76 SIGMAR1 (0.57) KMT2ACCR3MEN1SIGMAR1ACHE
SCHEMBL4031349 0.76 TACR1 (0.57) KMT2ACCR3MEN1SIGMAR1ACHE
SCHEMBL28895624 0.75 LMNA (1.00) KMT2ALMNAMEN1
SCHEMBL30021530 0.75 LMNA (1.00) KMT2ALMNAMEN1
SCHEMBL4033461 0.75 ACHE (0.51) KMT2ADRD2DRD4DRD3CCR3

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 KMT2A 2580/4885LMNA 3126/4885DRD2 281/4885

“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.