SCHEMBL4909423

SCHEMBL4909423

O=C(O)NC1CCN(CC2CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.50
CHRM2 P08172 4/20 0.47
CHRM1 P11229 4/20 0.47
CHRM3 P20309 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR4 Q13639 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CXCR3 P49682 1/20 0.40

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
SCHEMBL5555057 0.91 CCR1 (0.60) CCR1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL3487314 0.90 CCR1 (0.44) CCR1CHRM2CHRM1CHRM3SMYD3
SCHEMBL15130431 0.89 CHRM5 (0.48) CCR1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL15191011 0.89 CHRM5 (0.48) CCR1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL4119272 0.87 CHRM5 (0.52) CCR1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL4119281 0.87 CHRM5 (0.52) CCR1CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL14760896 0.85 CHRM2 (0.48) CCR1CHRM2CHRM1CHRM3CYP3A4
SCHEMBL27224933 0.84 CHRM3 (0.49) CCR1CHRM2CHRM1CHRM3SMYD3
SCHEMBL27232352 0.84 CHRM3 (0.49) CCR1CHRM2CHRM1CHRM3SMYD3
SCHEMBL6118868 0.84 PDE7A (0.47) CCR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097352-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-05-08 CN disclosed
CN-102947285-A Sulfonamide derivatives as BCL-2-selective apoptosis inducers for the treatment of cancer and immune diseases ABBOTT LAB 2013-02-27 CN disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
EP-1833792-A1 SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS CCR5 MODULATORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006067385-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-29 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-20080200460-A1 Chemical Compounds CCR5, CXCR4, CXCR5 CCR1 19/4885CHRM2 158/4885CHRM1 211/4885

“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.