SCHEMBL3487314

SCHEMBL3487314

O=C(O)NC1CCN(C2CCN(CC3CC3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.44
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
POLB P06746 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR4 Q13639 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4909423 0.90 CCR1 (0.50) CCR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL3232118 0.88 CCR1 (0.39) CCR1CHRM2CHRM1CHRM3POLB
SCHEMBL3489152 0.83 EPHX1 (0.47) CHRM1POLBSIGMAR1KDM4E
SCHEMBL5555057 0.82 CCR1 (0.60) CCR1CHRM2CHRM1CHRM3
SCHEMBL22208127 0.81 POLB (0.46) POLBSIGMAR1KDM4EHSD17B10
SCHEMBL15130431 0.80 CHRM5 (0.48) CCR1CHRM2CHRM1CHRM3KDM4E
SCHEMBL15191011 0.80 CHRM5 (0.48) CCR1CHRM2CHRM1CHRM3KDM4E
SCHEMBL3489007 0.79 DRD2 (0.55)
SCHEMBL3263447 0.79 HTT (0.41) POLBSIGMAR1KDM4ETDP1PARP1
SCHEMBL4119281 0.79 CHRM5 (0.52) CCR1CHRM2CHRM1CHRM3

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 1 patent. 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

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 4556/4885CHRM2 4880/4885CHRM1 4874/4885

“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.