SCHEMBL1781132

SCHEMBL1781132

Cc1ccc(N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.54
CCR5 P51681 1/20 0.54
KCNH2 Q12809 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
AKR1C3 P42330 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.41
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADRB1 P08588 1/20 0.39

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
SCHEMBL4789079 0.89 CCR2 (0.53) CCR2CCR5KCNH2SMN1; SMN2AKR1C3
SCHEMBL1778289 0.89 CCR2 (0.53) CCR2CCR5KCNH2SMN1; SMN2AKR1C3
SCHEMBL28776156 0.89 CCR2 (0.59) CCR2CCR5KCNH2SMN1; SMN2AKR1C3
SCHEMBL1779318 0.89 CCR2 (0.59) CCR2CCR5KCNH2SMN1; SMN2AKR1C3
SCHEMBL1777343 0.89 CCR2 (0.55) CCR2CCR5KCNH2SMN1; SMN2TSHR
SCHEMBL27741680 0.89 CCR2 (0.55) CCR2CCR5KCNH2SMN1; SMN2TSHR
SCHEMBL1778450 0.87 CCR2 (0.52) CCR2CCR5KCNH2LMNACYP1A2
SCHEMBL1778821 0.87 CCR2 (0.54) CCR2CCR5KCNH2SMN1; SMN2TSHR
SCHEMBL27741713 0.87 CCR2 (0.52) CCR2CCR5KCNH2LMNACYP1A2
SCHEMBL1778328 0.87 CCR2 (0.52) CCR2CCR5KCNH2SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US disclosed
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US disclosed
US-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US disclosed
US-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2008-11-20 US disclosed
WO-2007071952-A1 PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-06-28 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-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases CCR2, CCR5, CCL2 CCR2 1/4885CCR5 2/4885KCNH2 1735/4885

“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.