SCHEMBL2117890

SCHEMBL2117890

Cc1ccc(-n2c(-c3ccc(Br)cc3)nc3c(cnn3-c3ccccc3)c2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
TP53 P04637 4/20 0.74
GRM1 Q13255 3/20 0.73
KDM4E B2RXH2 1/20 0.69
SMN1; SMN2 Q16637 5/20 0.60
NPSR1 Q6W5P4 1/20 0.60
THRB P10828 1/20 0.60
DPP4 P27487 1/20 0.59
HPGD P15428 3/20 0.58
GRM5 P41594 1/20 0.57
TSHR P16473 3/20 0.56
HTT P42858 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
POLB P06746 1/20 0.55
KDR P35968 1/20 0.55

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
SCHEMBL1753211 1.00 MAPT (1.00) MAPTTP53GRM1KDM4ESMN1; SMN2
SCHEMBL2119601 0.95 MAPT (0.91) MAPTTP53GRM1KDM4ESMN1; SMN2
SCHEMBL2116994 0.94 MAPT (0.89) MAPTTP53GRM1KDM4ESMN1; SMN2
SCHEMBL1753273 0.93 MAPT (0.87) MAPTTP53GRM1KDM4ESMN1; SMN2
SCHEMBL1753218 0.93 MAPT (0.87) MAPTTP53GRM1KDM4ESMN1; SMN2
SCHEMBL2117605 0.93 MAPT (0.87) MAPTTP53GRM1KDM4ESMN1; SMN2
SCHEMBL2115952 0.92 MAPT (0.87) MAPTTP53GRM1KDM4ESMN1; SMN2
SCHEMBL1753561 0.90 MAPT (0.82) MAPTTP53GRM1KDM4ESMN1; SMN2
SCHEMBL2117564 0.90 MAPT (0.82) MAPTTP53GRM1KDM4ESMN1; SMN2
SCHEMBL1753534 0.90 MAPT (0.82) MAPTTP53GRM1KDM4ESMN1; SMN2

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 4351/4885GRM1 960/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885TP53 4640/4885GRM1 69/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH MAPT 1780/4885TP53 4640/4885GRM1 69/4885

“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.