SCHEMBL3232118

SCHEMBL3232118

O=C(O)NC1CN(C2CCN(CC3CC3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.39
MC4R P32245 1/20 0.37
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
CCR2 P41597 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SIGMAR1 Q99720 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL3487314 0.88 CCR1 (0.44) CCR1CHRM2CHRM1CHRM3POLB
SCHEMBL4909423 0.83 CCR1 (0.50) CCR1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL3488494 0.79 DRD2 (0.52) DRD2
SCHEMBL15130431 0.77 CHRM5 (0.48) CCR1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL15191011 0.77 CHRM5 (0.48) CCR1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL5555057 0.76 CCR1 (0.60) CCR1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL4119272 0.76 CHRM5 (0.52) CCR1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL4119281 0.76 CHRM5 (0.52) CCR1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL15191066 0.75 CCR1 (0.39) CCR1MC4RCHRM2CHRM1CHRM3
SCHEMBL15191067 0.75 CCR1 (0.39) CCR1MC4RCHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075973-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-25 US disclosed
WO-2010025073-A1 DIHYDROIMIDAZO [ 1, 5-F] PTERIDINES AS POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 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-20100075973-A1 POLO-LIKE KINASE INHIBITORS PLK2, PLK4, PLK1 CCR1 4556/4885MC4R 4537/4885CHRM2 4880/4885

“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.