SCHEMBL1777899

SCHEMBL1777899

CCOc1ccc(-c2cnc(N3CCN(C(=O)[C@H]4CN(C(C)C)CCN4)CC3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.45
CCR5 P51681 1/20 0.45
KCNH2 Q12809 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PSMD14 O00487 1/20 0.41
MMP2 P08253 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 1/20 0.40
P2RX3 P56373 3/20 0.39
GRM5 P41594 1/20 0.39
ACACB O00763 4/20 0.38
NPC1 O15118 1/20 0.38
CYP2C9 P11712 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
SCHEMBL1777190 0.86 CCR2 (0.47) CCR2CCR5KCNH2GPR119ACACB
SCHEMBL27762255 0.86 CCR2 (0.47) CCR2CCR5KCNH2GPR119ACACB
SCHEMBL1778328 0.75 CCR2 (0.52) CCR2CCR5KCNH2MEN1KMT2A
SCHEMBL1777310 0.75 MAPT (0.48) CCR2CCR5KCNH2MAPTMAPK1
SCHEMBL12603406 0.74 CCR2 (0.49) CCR2CCR5KCNH2
SCHEMBL1777343 0.72 CCR2 (0.55) CCR2CCR5KCNH2MEN1KMT2A
SCHEMBL27741680 0.72 CCR2 (0.55) CCR2CCR5KCNH2MEN1KMT2A
SCHEMBL1778248 0.72 KDM4E (0.54) CCR2CCR5KCNH2MEN1KMT2A
SCHEMBL1777422 0.72 CCR2 (0.48) CCR2CCR5KCNH2MAPTMAPK1
SCHEMBL1777938 0.72 ADRB1 (0.48) CCR2CCR5KCNH2PKMACACB

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 8 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
CN-101384582-A Piperazine compounds useful as antagonists of C-C chemokines (CCR2B and CCR5) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2009-03-11 CN 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.