SCHEMBL4515367

SCHEMBL4515367

Nc1ccc(N2CCCOC2=O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 5/20 0.53
POLB P06746 3/20 0.53
KDM4E B2RXH2 2/20 0.45
RAD52 P43351 1/20 0.45
CYP3A4 P08684 3/20 0.44
HTT P42858 2/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.36
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
THRB P10828 2/20 0.35
F10 P00742 1/20 0.35
ALOX15 P16050 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
SCHEMBL11486385 0.91 MAPT (0.57) MAPTGAASMN1; SMN2ALDH1A1POLB
SCHEMBL8306576 0.84 METAP2 (0.41) MAPTGAASMN1; SMN2ALDH1A1POLB
SCHEMBL76885 0.82 ALDH1A1 (0.51) MAPTGAASMN1; SMN2ALDH1A1POLB
SCHEMBL4508548 0.79 MAPT (0.48) MAPTGAASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4475157 0.78 ALDH1A1 (0.54) MAPTGAASMN1; SMN2ALDH1A1POLB
SCHEMBL78187 0.76 ALDH1A1 (0.57) MAPTGAASMN1; SMN2ALDH1A1POLB
SCHEMBL30168172 0.76 ALDH1A1 (0.57) MAPTGAASMN1; SMN2ALDH1A1POLB
SCHEMBL22816934 0.75 ALDH1A1 (0.60) MAPTGAASMN1; SMN2ALDH1A1POLB
SCHEMBL29182832 0.74 MAPT (0.39) MAPTGAASMN1; SMN2ALDH1A3ALDH3A1
SCHEMBL4414346 0.74 DDB1 (0.43) MAPTGAAALDH1A1POLBKDM4E

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
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
EP-1836198-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP disclosed
WO-2006069946-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 WO disclosed
US-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 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-20060142263-A1 NEW SUBSTITUTED PYRROLIDINONES, THEIR MANUFACTURE AND THEIR USE AS MEDICAMENTS PYCR1, OAT, UROD MAPT 137/4885GAA 1059/4885SMN1; SMN2 3567/4885

“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.