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SCHEMBL2116983

SCHEMBL2116983

Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(F)cc2)c1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.86
▸ MAPT P10636 3/20 0.86
▸ THRB P10828 1/20 0.76
▸ SMN1; SMN2 Q16637 4/20 0.72
▸ TSHR P16473 3/20 0.72
▸ HTT P42858 2/20 0.72
▸ ALDH1A1 P00352 1/20 0.72
▸ GRM1 Q13255 5/20 0.57
▸ KDR P35968 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ GRM5 P41594 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ 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
SCHEMBL2115401 0.93 TP53 (0.93) TP53MAPTTHRBSMN1; SMN2TSHR
SCHEMBL2116120 0.92 TP53 (1.00) TP53MAPTTHRBSMN1; SMN2TSHR
SCHEMBL2117983 0.90 THRB (0.87) TP53MAPTTHRBSMN1; SMN2TSHR
SCHEMBL1753275 0.89 TP53 (0.86) TP53MAPTTHRBSMN1; SMN2TSHR
SCHEMBL2120329 0.89 MAPT (1.00) TP53MAPTTHRBSMN1; SMN2TSHR
SCHEMBL2117614 0.89 MAPT (0.80) TP53MAPTTHRBSMN1; SMN2TSHR
SCHEMBL2117476 0.88 TP53 (0.83) TP53MAPTTHRBSMN1; SMN2TSHR
SCHEMBL2115647 0.88 THRB (0.83) TP53MAPTTHRBSMN1; SMN2TSHR
SCHEMBL2119540 0.88 TP53 (0.82) TP53MAPTTHRBSMN1; SMN2TSHR
SCHEMBL2117907 0.86 THRB (1.00) TP53MAPTTHRBSMN1; SMN2TSHR

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-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 — — EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 — — 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 TP53 4351/4885MAPT 4328/4885THRB 427/4885
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885MAPT 1780/4885THRB 1943/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885MAPT 1780/4885THRB 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.