SCHEMBL7012374

SCHEMBL7012374

CCCOC(=O)CC(=O)N1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MGLL Q99685 4/20 0.54
FAAH O00519 3/20 0.53
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL7007723 0.88 KMT2A (0.62) KMT2AMGLLFAAHHRH2HRH1
SCHEMBL8301729 0.82 MGLL (0.64) KMT2AMGLLFAAHHRH2HRH1
SCHEMBL9279984 0.82 KMT2A (0.73) KMT2AMGLLFAAHHRH2HRH1
SCHEMBL7009534 0.77 KMT2A (0.60) KMT2AMGLLFAAHHRH2HRH1
SCHEMBL3996605 0.77 MGLL (0.63) MGLLFAAHALDH1A1CYP1A2CYP2D6
SCHEMBL1734128 0.77 MGLL (0.63) MGLLFAAHALDH1A1CYP1A2CYP2D6
SCHEMBL4380521 0.75 MGLL (0.65) KMT2AMGLLFAAHSMN1; SMN2MEN1
SCHEMBL7012377 0.75 ALDH1A1 (0.40) KMT2AHRH2HRH1SMN1; SMN2MEN1
SCHEMBL18424173 0.75 CYP1A2 (0.73) KMT2AMGLLFAAHMEN1ALDH1A1
SCHEMBL26042174 0.75 CYP1A2 (0.69) KMT2AMGLLFAAHMEN1ALDH1A1

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 KMT2A 4716/4885MGLL 4036/4885FAAH 3439/4885

“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.