SCHEMBL2118035

SCHEMBL2118035

Cc1cccc(-n2c(-c3ccc(Cl)cc3)nc3c(cnn3-c3ccccc3)c2=O)c1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.84
TP53 P04637 4/20 0.82
THRB P10828 1/20 0.82
GRM1 Q13255 5/20 0.69
GRM5 P41594 1/20 0.64
SMN1; SMN2 Q16637 7/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
TSHR P16473 2/20 0.60
HTT P42858 2/20 0.60
DPP4 P27487 1/20 0.54

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
SCHEMBL2117241 0.93 TP53 (0.77) MAPTTP53THRBGRM1GRM5
SCHEMBL2117971 0.92 TP53 (0.88) MAPTTP53THRBGRM1GRM5
SCHEMBL2117098 0.92 TP53 (0.84) MAPTTP53THRBGRM1SMN1; SMN2
SCHEMBL2115647 0.92 THRB (0.83) MAPTTP53THRBGRM1SMN1; SMN2
SCHEMBL1753611 0.92 MAPT (0.92) MAPTTP53THRBGRM1GRM5
SCHEMBL2120329 0.92 MAPT (1.00) MAPTTP53THRBGRM1GRM5
SCHEMBL2119956 0.90 TP53 (1.00) MAPTTP53THRBGRM1GRM5
SCHEMBL2117907 0.90 THRB (1.00) MAPTTP53THRBGRM1GRM5
SCHEMBL2117983 0.90 THRB (0.87) MAPTTP53THRBGRM1SMN1; SMN2
SCHEMBL1689149 0.90 MAPT (0.78) MAPTTP53THRBGRM1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US claimed
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-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20070299047-A1 Combination of Organic Compounds MAHER WILLIAM 2007-12-27 US disclosed
EP-1791600-A1 COMBINATION OF ORGANIC COMPOUNDS Novartis AG (CH) 2007-06-06 EP disclosed
WO-2006029349-A1 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-03-16 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 (3 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-20070299047-A1 Combination of Organic Compounds GLP1R, PPARG, GCGR MAPT 4328/4885TP53 4351/4885THRB 427/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885TP53 4640/4885THRB 1943/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885TP53 4640/4885THRB 1943/4885

“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.