SCHEMBL7018511

SCHEMBL7018511

CCOC(=O)CC(=O)NC1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.43
KCNH2 Q12809 1/20 0.43
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
KDM1A O60341 1/20 0.40
EPHX1 P07099 3/20 0.38
PKM P14618 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.36
AHCY P23526 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6237922 0.90 GNAI3 (0.53) SMYD3GNAI3GNAO1GNAI1MGAM
SCHEMBL2426353 0.82 KCNH2 (0.47) KCNH2GNAI3GNAO1GNAI1GAA
SCHEMBL14224187 0.82 KCNH2 (0.47) KCNH2GNAI3GNAO1GNAI1GAA
SCHEMBL14224181 0.82 KCNH2 (0.47) KCNH2GNAI3GNAO1GNAI1GAA
SCHEMBL17756115 0.81 SMYD3 (0.59) SMYD3MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL17560365 0.81 KCNH2 (0.46) KCNH2GNAI3GNAO1GNAI1GAA
Hydrochloric Acid SCHEMBL28954175 0.81 KCNH2 (0.46) KCNH2GNAI3GNAO1GNAI1GAA
Hydrochloric Acid SCHEMBL17560364 0.81 KCNH2 (0.46) KCNH2GNAI3GNAO1GNAI1GAA
SCHEMBL4782330 0.80 KCNH2 (0.52) KCNH2GNAI3GNAO1GNAI1KDM1A
SCHEMBL12403611 0.80 KCNH2 (0.52) KCNH2GNAI3GNAO1GNAI1KDM1A

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
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
EP-1224186-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2002-07-24 EP disclosed
WO-2001030780-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2001-05-03 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-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, FGB SMYD3 4812/4885KCNH2 3967/4885GNAI3 1874/4885

“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.