SCHEMBL1753607

SCHEMBL1753607

O=c1c2ncn(-c3ccccc3)c2nc(-c2ccc(-c3ccc(F)cc3)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
XDH P47989 2/20 0.43
GRM1 Q13255 4/20 0.43
MAPT P10636 1/20 0.42
MCHR1 Q99705 1/20 0.42
CYP1A2 P05177 5/20 0.42
HSD17B10 Q99714 5/20 0.42
USP2 O75604 4/20 0.42
CYP2D6 P10635 3/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 5/20 0.39
CASP1 P29466 4/20 0.39
CASP7 P55210 4/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
HIF1A Q16665 2/20 0.39

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
SCHEMBL1689332 0.93 GRM1 (0.48) RXFP1XDHGRM1MAPTMCHR1
SCHEMBL1689027 0.93 MAPT (0.43) NPSR1RXFP1XDHGRM1MAPT
SCHEMBL1689013 0.91 GRM1 (0.50) XDHGRM1MAPTMCHR1CYP1A2
SCHEMBL1753604 0.91 MAPT (0.46) NPSR1RXFP1XDHGRM1MAPT
SCHEMBL1753229 0.90 GRM1 (0.46) RXFP1XDHGRM1MAPTMCHR1
SCHEMBL1753234 0.89 XDH (0.43) NPSR1RXFP1XDHGRM1MAPT
SCHEMBL1689057 0.89 GRM1 (0.50) NPSR1RXFP1XDHGRM1MAPT
SCHEMBL1688960 0.89 GRM1 (0.50) XDHGRM1MAPTMCHR1CYP1A2
SCHEMBL1689045 0.88 ALDH1A1 (0.48) XDHGRM1MAPTMCHR1CYP1A2
SCHEMBL1688976 0.88 XDH (0.44) RXFP1XDHGRM1MAPTMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US claimed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US claimed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPSR1 92/4885RXFP1 568/4885XDH 3541/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH NPSR1 92/4885RXFP1 568/4885XDH 3541/4885

“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.