SCHEMBL7008178

SCHEMBL7008178

CCCCOC(=O)N[C@@H](CN)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
EPHX1 P07099 1/20 0.42
ACHE P22303 7/20 0.41
CAD P27708 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7453134 0.89 EPHX1 (0.43) SMN1; SMN2MAPK1EPHX1ACHEALDH1A1
SCHEMBL7372859 0.89 EPHX1 (0.43) SMN1; SMN2MAPK1EPHX1ACHEALDH1A1
SCHEMBL7368743 0.85 EPHX1 (0.43) SMN1; SMN2EPHX1ACHEALDH1A1NPC1
SCHEMBL30202144 0.85 EPHX1 (0.43) SMN1; SMN2EPHX1ACHEALDH1A1NPC1
SCHEMBL10920272 0.85 CPB2 (0.46) SMN1; SMN2MAPK1L3MBTL1POLBKMT2A
Hydrochloric Acid SCHEMBL7656187 0.84 EPHX1 (0.42) SMN1; SMN2EPHX1ACHEALDH1A1NPC1
SCHEMBL8593917 0.81 KMT2A (0.43) SMN1; SMN2MAPK1EPHX1ACHEALDH1A1
SCHEMBL7006306 0.80 KMT2A (0.49) SMN1; SMN2MAPK1L3MBTL1POLBKMT2A
SCHEMBL6168369 0.80 KMT2A (0.49) SMN1; SMN2MAPK1L3MBTL1POLBKMT2A
SCHEMBL19084456 0.80 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1EPHX1ACHEALDH1A1

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
EP-1224186-B1 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION MILLENNIUM PHARM INC (US) 2003-09-24 EP disclosed
US-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation MILLENNIUM PHARMACEUTICALS, INC. 2003-03-20 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-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, FGB SMN1; SMN2 4677/4885MAPK1 2486/4885EPHX1 1949/4885

“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.