SCHEMBL7201578

SCHEMBL7201578

O=C(N[C@H]1CCCNCC1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
EPHX2 P34913 1/20 0.46
CHRM3 P20309 5/20 0.44
CHRM1 P11229 4/20 0.44
CHRM2 P08172 3/20 0.44
EPHX1 P07099 3/20 0.43
TLR2 O60603 2/20 0.42

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
SCHEMBL2302847 0.95 KMT2A (0.52) KMT2AEPHX2CHRM3CHRM1CHRM2
Hydrochloric Acid SCHEMBL30901456 0.94 KMT2A (0.51) KMT2AEPHX2CHRM3CHRM1CHRM2
Hydrochloric Acid SCHEMBL1560621 0.94 KMT2A (0.51) KMT2AEPHX2CHRM3CHRM1CHRM2
SCHEMBL23841210 0.89 KMT2A (0.56) KMT2AEPHX2EPHX1
SCHEMBL10230770 0.87 KMT2A (0.54) KMT2AEPHX2EPHX1
SCHEMBL13020974 0.87 KMT2A (0.54) KMT2AEPHX2EPHX1
SCHEMBL13555711 0.87 KMT2A (0.54) KMT2AEPHX2EPHX1
SCHEMBL16248428 0.87 KMT2A (0.54) KMT2AEPHX2EPHX1
SCHEMBL471502 0.87 KMT2A (0.54) KMT2AEPHX2EPHX1
SCHEMBL15705238 0.87 KMT2A (0.54) KMT2AEPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012123298-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-6656911-B2 Oxadiazole ring structure peptoids which are useful as inhibitors of serine proteases CORTECH, INC. 2003-12-02 US disclosed
US-20030203851-A1 Substituted oxadiazole, peptoids which are useful for treating adult respiratory distress syndrome, septic shock and myocardial ischemia-reperfusion injury CORTECH, INC. 2003-10-30 US disclosed
US-20020119985-A1 Serine protease inhibitors CORTECH, INC. 2002-08-29 US disclosed
US-5998379-A USEFUL AS INHIBITORS OF SERINE PROTEASES, IN PARTICULAR HUMAN NEUTROPHIL ELASTASE, TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPTIC SHOCK, AND MYOCARDIAL ISCHEMIA-REPERFUSION INJURY CORTECH INC. (US) 1999-12-07 US disclosed
EP-0954526-A2 SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1999-11-10 EP disclosed
WO-1998024806-A2 SUBSTITUTED OXADIAZOLE, THIADIAZOLE AND TRIAZOLE SERINE PROTEASE INHIBITORS CORTECH, INC. (US) 1998-06-11 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 (2 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-20020119985-A1 Serine protease inhibitors PRSS1, SERPINB1, SERPINE1 KMT2A 4782/4885EPHX2 2913/4885CHRM3 4360/4885
US-20030203851-A1 Substituted oxadiazole, peptoids which are useful for treating adult respiratory distress syndrome, septic shock and myocardial ischemia-reperfusion injury TNNI3, PEPD, STK35 KMT2A 4854/4885EPHX2 2845/4885CHRM3 3113/4885

“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.