SCHEMBL3604029

SCHEMBL3604029

CS(=O)(=O)c1ccc(CN2CCN(C3CCNCC3)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.58
PRMT5 O14744 3/20 0.44
WDR77 Q9BQA1 3/20 0.44
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.40
CCR2 P41597 4/20 0.37
KCNH2 Q12809 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL14978754 0.84 TP53 (0.51) TP53PRMT5WDR77POLBLMNA
SCHEMBL16172053 0.83 TP53 (0.42) TP53POLBRXFP1LMNAKCNH2
SCHEMBL14978755 0.83 TP53 (0.42) TP53PRMT5WDR77POLBGPR119
SCHEMBL2855094 0.82 TP53 (0.59) TP53POLBRXFP1KCNH2
SCHEMBL14978753 0.81 TP53 (0.42) TP53RXFP1LMNAGPR119
SCHEMBL14978750 0.78 GPR119 (0.39) TP53RXFP1LMNAKCNH2GPR119
SCHEMBL14978757 0.78 TP53 (0.55) TP53LMNA
Trifluoroacetic Acid SCHEMBL14966698 0.77 GPR119 (0.43) TP53RXFP1KCNH2GPR119
SCHEMBL14978022 0.76 TP53 (0.38) TP53GPR119
SCHEMBL14978693 0.74 TP53 (0.41) TP53RXFP1LMNAKCNH2GPR119

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
CN-1972923-A Piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2007-05-30 CN disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 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 (2 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 TP53 4673/4885PRMT5 1290/4885WDR77 3603/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 TP53 3861/4885PRMT5 2128/4885WDR77 4410/4885

“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.