SCHEMBL5651628

SCHEMBL5651628

CCOC(=O)CCCN[C]=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TOP2A P11388 1/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 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
SCHEMBL8176275 0.94 CYP1A2 (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL6006466 0.93 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1938228 0.88 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL5649764 0.82 TSHR (0.58) ALDH1A1KDM4ESMN1; SMN2KMT2ATSHR
SCHEMBL8636181 0.79 CYP1A2 (0.59) CYP1A2GAAMGAMSIMGAM2
SCHEMBL9099953 0.79 DGKA (0.55) TOP2AALDH1A1TSHREPHX2
SCHEMBL27679001 0.78 CYP1A2 (0.57) CYP1A2GAAMGAMSIMGAM2
SCHEMBL681444 0.78 CYP1A2 (0.57) CYP1A2GAAMGAMSIMGAM2
SCHEMBL6006524 0.78 DGKA (0.58) ALDH1A1TSHREPHX2
SCHEMBL7337247 0.78 DGKA (0.37) TOP2AEPHX2

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
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 CYP1A2 877/4885GAA 4809/4885MGAM 4758/4885

“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.