SCHEMBL1688997

SCHEMBL1688997

Cc1ccc(-n2c(-c3ccc(Cl)cc3)nc3ncn(-c4ccccc4)c3c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
ALDH1A1 P00352 9/20 0.46
MAPT P10636 3/20 0.46
MCHR1 Q99705 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRM1 Q13255 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.42
GRM5 P41594 1/20 0.42
MDM2 Q00987 1/20 0.42
GAA P10253 1/20 0.42
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL1753437 0.95 MCHR1 (0.46) TP53ALDH1A1MAPTMCHR1SMN1; SMN2
SCHEMBL1688934 0.93 MAPT (0.45) TP53ALDH1A1MAPTMCHR1SMN1; SMN2
SCHEMBL1688988 0.90 DHFR (0.44) TP53ALDH1A1MAPTMCHR1GRM1
SCHEMBL1753587 0.90 MAPT (0.47) ALDH1A1MAPTMCHR1SMN1; SMN2GRM1
SCHEMBL1689030 0.89 GLA (0.54) TP53ALDH1A1MAPTMCHR1SMN1; SMN2
SCHEMBL1753421 0.89 MCHR1 (0.42) ALDH1A1MAPTMCHR1GRM1RXFP1
SCHEMBL1689334 0.86 GRM1 (0.45) ALDH1A1MAPTMCHR1SMN1; SMN2GRM1
SCHEMBL1689350 0.85 MAPT (0.43) TP53ALDH1A1MAPTMCHR1GRM1
SCHEMBL1753609 0.83 GRM1 (0.39) ALDH1A1MAPTMCHR1GRM1RAB9A
SCHEMBL27679298 0.83 GRM1 (0.41) TP53MAPTMCHR1GRM1RAB9A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US claimed
CN-102241680-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC 2011-11-16 CN claimed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US claimed
CN-101048408-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2007-10-03 CN claimed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
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-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
CN-102241680-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC 2011-11-16 CN disclosed
CN-101048408-B Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC 2011-07-06 CN disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
CN-101048408-A Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2007-10-03 CN 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 (2 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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885ALDH1A1 2743/4885MAPT 1780/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TP53 4640/4885ALDH1A1 2743/4885MAPT 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.