SCHEMBL7009534

SCHEMBL7009534

CCOC(=O)CN1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
HRH2 P25021 1/20 0.59
HRH1 P35367 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
MGLL Q99685 4/20 0.57
FAAH O00519 2/20 0.53

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
SCHEMBL9279984 0.89 KMT2A (0.73) KMT2AHRH2HRH1SMN1; SMN2MEN1
SCHEMBL7014683 0.84 KMT2A (0.53) KMT2AHRH2HRH1SMN1; SMN2MEN1
SCHEMBL7007723 0.83 KMT2A (0.62) KMT2AHRH2HRH1SMN1; SMN2MEN1
SCHEMBL18971917 0.82 CYP1A2 (0.57) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL7007640 0.80 KMT2A (0.55) KMT2AHRH2HRH1SMN1; SMN2MEN1
SCHEMBL8301729 0.80 MGLL (0.64) KMT2AHRH2HRH1SMN1; SMN2MEN1
SCHEMBL7392742 0.79 KMT2A (0.72) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL1734128 0.79 MGLL (0.63) ALDH1A1MGLLFAAH
SCHEMBL3996605 0.79 MGLL (0.63) ALDH1A1MGLLFAAH
SCHEMBL7015537 0.78 KMT2A (0.51) KMT2AHRH2HRH1SMN1; SMN2MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388423-B1 NK1 RECEPTOR ANTAGONIST KISSEI PHARMACEUTICAL (JP) 2020-05-27 EP disclosed
US-10399949-B2 NK1 receptor antagonist KISSEI PHARMACEUTICAL CO., LTD. (JP) 2019-09-03 US disclosed
US-20190002414-A1 NK1 RECEPTOR ANTAGONIST KISSEI PHARMACEUTICAL CO., LTD. (JP) 2019-01-03 US disclosed
EP-3388423-A1 NK1 RECEPTOR ANTAGONIST Kissei Pharmaceutical Co., Ltd. (JP) 2018-10-17 EP disclosed
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 (3 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 4716/4885HRH2 1409/4885HRH1 2252/4885
US-20190002414-A1 NK1 RECEPTOR ANTAGONIST TACR1, TACR2, GRPR KMT2A 277/4885HRH2 55/4885HRH1 86/4885
US-10399949-B2 NK1 receptor antagonist TACR1, TACR2, GRPR KMT2A 277/4885HRH2 55/4885HRH1 86/4885

“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.