SCHEMBL728990

SCHEMBL728990

IC=CCC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALOX15 P16050 2/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GABRA5 P31644 3/20 0.34
GABRB2 P47870 3/20 0.34
SLC6A1 P30531 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRR1 P24046 1/20 0.34
GBA1 P04062 1/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL17815500 0.82
SCHEMBL10154182 0.76 NOS2 (0.35) TSHRALOX15CHRM1CHRM3GABRA5
SCHEMBL25610380 0.76 NOS2 (0.35) TSHRALOX15CHRM1CHRM3GABRA5
SCHEMBL4019383 0.76 CHRM1 (0.35) TSHRALOX15CHRM1CHRM3GABRA5
SCHEMBL7698450 0.76 TSHR (0.35) TSHRALOX15CHRM1CHRM3GABRA5
SCHEMBL7586193 0.76 TSHR (0.35) TSHRALOX15CHRM1CHRM3GABRA5
SCHEMBL11539579 0.75 ADH1B (0.34) CHRM1EPHX1
SCHEMBL11539584 0.75 ADH1B (0.34) CHRM1EPHX1
SCHEMBL7138787 0.74 GBA1 (0.38) TSHRALOX15CHRM1CHRM3GABRA5
SCHEMBL18585917 0.73 TSHR (0.38) TSHRALOX15CHRM1CHRM3GABRA5

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
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 US disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
EP-1869043-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-26 EP disclosed
EP-1863813-A2 PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107853-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
WO-2006107771-A2 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 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-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods IL4, IL2, IL5 TSHR 3315/4885ALOX15 1980/4885CHRM1 1806/4885
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof IL4, IL2, IL1A TSHR 3629/4885ALOX15 3908/4885CHRM1 1690/4885

“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.