SCHEMBL7008537

SCHEMBL7008537

CCOC(=O)COCC1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MGLL Q99685 2/20 0.48
FAAH O00519 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL18971917 0.87 CYP1A2 (0.57) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL7007640 0.85 KMT2A (0.55) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL14389738 0.82 CYP1A2 (0.65) CYP1A2CYP2D6MGLLFAAH
SCHEMBL9279984 0.81 KMT2A (0.73) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL7014600 0.81 KMT2A (0.51) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL7392742 0.81 KMT2A (0.72) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL7013747 0.80 CYP1A2 (0.53) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL8480766 0.80 CYP1A2 (0.53) KMT2ACYP1A2CYP2D6SMN1; SMN2MEN1
SCHEMBL7009534 0.78 KMT2A (0.60) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL9173899 0.78 CYP1A2 (0.60) CYP1A2CYP2D6MGLLFAAH

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 KMT2A 4716/4885CYP1A2 3420/4885CYP2D6 2733/4885

“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.