SCHEMBL842103

SCHEMBL842103

[CH2]CCCNC(=O)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.68
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PKM P14618 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
CHRM1 P11229 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4801343 0.95 HTT (0.66) HTTSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL1446581 0.89 HTT (0.62) HTTSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL5020904 0.82 HTT (0.97) HTTSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL1233491 0.81 HTT (0.66) HTTSMN1; SMN2KMT2AMEN1PKM
SCHEMBL1753844 0.81 HTT (0.87) HTTSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL10750878 0.79 HTT (0.64) HTTSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL1446597 0.79 HTT (0.64) HTTSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL1446599 0.79 HTT (0.64) HTTSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL5694307 0.79 HTT (0.84) HTTSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL8396561 0.79 HTT (0.84) HTTSMN1; SMN2KMT2AMEN1TSHR

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP claimed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US claimed
US-8343993-B2 Hydroxyalkyl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-01 US claimed
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2012-05-17 US claimed
US-8178677-B2 Hydroxyalkyl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-15 US claimed
US-8168802-B2 Ring closing and related methods and intermediates 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-01 US claimed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US claimed
US-20110269965-A1 Ring Closing and Related Methods and Intermediates COLEY PHARMACEUTICAL GROUP, INC. (US) 2011-11-03 US claimed
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US claimed
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2009-12-24 US claimed
WO-2006098852-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-09-21 WO claimed
EP-1696912-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2006-09-06 EP claimed
WO-2006091567-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINE COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO claimed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO claimed
WO-2006091568-A2 HYDROXYALKYL SUBSTITUTED IMIDAZONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO claimed
US-20060100229-A1 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2006-05-11 US claimed
WO-2006038923-A2 ARYL SUBSTITUTED IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-13 WO claimed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO claimed
WO-2005123079-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-29 WO claimed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110269965-A1 Ring Closing and Related Methods and Intermediates CYP11B1, CYP11B2, CYP2F1 HTT 3412/4885SMN1; SMN2 2232/4885KMT2A 4195/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 HTT 3755/4885SMN1; SMN2 4015/4885KMT2A 3149/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 HTT 4235/4885SMN1; SMN2 3916/4885KMT2A 2980/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 HTT 3755/4885SMN1; SMN2 4015/4885KMT2A 3149/4885

“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.