SCHEMBL1038424

SCHEMBL1038424

CC(=O)NCCC1CCCCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.44
KMT2A Q03164 3/20 0.40
CYP2D6 P10635 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
MLNR O43193 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
FYN P06241 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 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
SCHEMBL24322395 1.00 FDPS (0.44) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL28747806 0.84 FDPS (0.45) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL13295368 0.83 FDPS (0.41) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL27916091 0.83 FDPS (0.44) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL13207251 0.82 FDPS (0.46) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL12506228 0.82 FDPS (0.46) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL13186048 0.82 FDPS (0.46) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL28195737 0.80 SIGMAR1 (0.42) FDPSKMT2ACYP2D6MEN1LMNA
SCHEMBL31058405 0.79 FDPS (0.39) FDPSKMT2AMEN1LMNATP53
SCHEMBL17141388 0.79 FDPS (0.39) FDPSKMT2AMEN1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 FDPS 3998/4885KMT2A 1509/4885CYP2D6 974/4885

“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.