SCHEMBL1753568

SCHEMBL1753568

Cn1nc(-c2ccccc2)c2nc(-c3ccc(-c4ccccn4)cc3)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CASP7 P55210 5/20 0.39
USP2 O75604 4/20 0.39
CYP1A2 P05177 4/20 0.39
CASP1 P29466 4/20 0.39
HSD17B10 Q99714 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HIF1A Q16665 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
GLA P06280 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C9 P11712 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL1688995 0.86 TP53 (0.43) MAPTNR1H2NR1H3CASP7USP2
SCHEMBL1689039 0.86 MAPT (0.45) MAPTNR1H2NR1H3CASP7USP2
SCHEMBL1689035 0.85 DHFR (0.45) MAPTNR1H2NR1H3CASP7USP2
SCHEMBL1689074 0.78 MAPT (0.54) MAPTNR1H2NR1H3ALDH1A1LMNA
SCHEMBL1753599 0.73 XDH (0.42) MAPTCASP7USP2CYP1A2CASP1
SCHEMBL1689054 0.73 MAPT (0.43) MAPTNR1H2NR1H3CASP7USP2
SCHEMBL2116610 0.73 DHFR (0.43) MAPTCASP7USP2CYP1A2CASP1
SCHEMBL1689089 0.73 MAPT (0.67) MAPTKMT2AALDH1A1LMNATSHR
SCHEMBL1689123 0.72 DHFR (0.43) MAPTCASP7USP2CYP1A2CASP1
SCHEMBL1753378 0.72 AKR1B10 (0.42) MAPTKMT2ALMNAMEN1ALOX15

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 11 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

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 MAPT 1780/4885NR1H2 61/4885NR1H3 112/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885NR1H2 61/4885NR1H3 112/4885

“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.