SCHEMBL2117983

SCHEMBL2117983

Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(C)c2)c1

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.87
TP53 P04637 5/20 0.87
MAPT P10636 3/20 0.87
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 3/20 0.65
TSHR P16473 3/20 0.65
HTT P42858 2/20 0.65
DPP4 P27487 3/20 0.60
GRM1 Q13255 3/20 0.59
LMNA P02545 3/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 1/20 0.59
PTGS2 P35354 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL2115647 0.98 THRB (0.83) THRBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL2115401 0.96 TP53 (0.93) THRBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL2117476 0.95 TP53 (0.83) THRBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL2117907 0.93 THRB (1.00) THRBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL2116120 0.93 TP53 (1.00) THRBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL2117098 0.93 TP53 (0.84) THRBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL2118035 0.90 MAPT (0.84) THRBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL2115190 0.90 MAPT (0.80) THRBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL1753275 0.90 TP53 (0.86) THRBTP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL2120329 0.90 MAPT (1.00) THRBTP53MAPTSMN1; SMN2ALDH1A1

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 THRB 427/4885TP53 4351/4885MAPT 4328/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH THRB 1943/4885TP53 4640/4885MAPT 1780/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH THRB 1943/4885TP53 4640/4885MAPT 1780/4885

“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.