SCHEMBL2117655

SCHEMBL2117655

Cc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
TSHR P16473 5/20 0.61
HTT P42858 4/20 0.61
TP53 P04637 3/20 0.59
MAPT P10636 3/20 0.59
ALDH1A1 P00352 3/20 0.59
GRM1 Q13255 4/20 0.58
POLB P06746 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDR P35968 1/20 0.58
GRM5 P41594 2/20 0.57
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 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
SCHEMBL2117925 0.91 MAPT (0.71) SMN1; SMN2TSHRHTTTP53MAPT
SCHEMBL1753212 0.90 TP53 (0.67) SMN1; SMN2TSHRHTTTP53MAPT
SCHEMBL1753558 0.89 GRM1 (0.73) SMN1; SMN2TSHRHTTTP53MAPT
SCHEMBL2117294 0.85 DPP4 (0.57) SMN1; SMN2TSHRHTTTP53MAPT
SCHEMBL2117289 0.85 TP53 (0.69) SMN1; SMN2TSHRHTTTP53MAPT
SCHEMBL2117614 0.84 MAPT (0.80) SMN1; SMN2TSHRHTTTP53MAPT
SCHEMBL1753296 0.84 TP53 (0.78) SMN1; SMN2TSHRHTTTP53MAPT
SCHEMBL2115828 0.83 TP53 (0.74) SMN1; SMN2TSHRHTTTP53MAPT
SCHEMBL2116983 0.83 TP53 (0.86) SMN1; SMN2TSHRHTTTP53MAPT
SCHEMBL1753227 0.82 TP53 (0.66) SMN1; SMN2TSHRHTTTP53MAPT

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 SMN1; SMN2 4363/4885TSHR 389/4885HTT 3123/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH SMN1; SMN2 3746/4885TSHR 2250/4885HTT 1829/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH SMN1; SMN2 3746/4885TSHR 2250/4885HTT 1829/4885

“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.