SCHEMBL2114882

SCHEMBL2114882

O=c1c2cnn(-c3ccccc3)c2nc(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.76
TP53 P04637 2/20 0.76
ALDH1A1 P00352 3/20 0.69
HPGD P15428 3/20 0.69
LMNA P02545 3/20 0.69
TSHR P16473 2/20 0.69
HTT P42858 2/20 0.69
ALOX15 P16050 1/20 0.69
MAPK1 P28482 1/20 0.69
THRB P10828 1/20 0.69
GRM1 Q13255 3/20 0.64
GRM5 P41594 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
PTGS2 P35354 2/20 0.62
KDM4E B2RXH2 2/20 0.62
KMT2A Q03164 2/20 0.62
DPP4 P27487 3/20 0.61
POLB P06746 1/20 0.60

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
SCHEMBL2115952 0.94 MAPT (0.87) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL1753218 0.92 MAPT (0.87) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL2117605 0.92 MAPT (0.87) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL2116994 0.91 MAPT (0.89) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL1689149 0.91 MAPT (0.78) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL1753279 0.90 MAPT (0.80) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL1753273 0.90 MAPT (0.87) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL2119601 0.90 MAPT (0.91) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL1753380 0.90 MAPT (0.80) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL2115401 0.90 TP53 (0.93) MAPTTP53ALDH1A1HPGDLMNA

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 5 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

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 4351/4885ALDH1A1 1443/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885TP53 4640/4885ALDH1A1 2743/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885TP53 4640/4885ALDH1A1 2743/4885

“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.