SCHEMBL4077619

SCHEMBL4077619

Cn1c(C(=O)OCc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.53
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
HPGD P15428 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
LMNA P02545 3/20 0.42
JAK2 O60674 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL4076271 0.93 CNR1 (0.51) CNR1ALDH1A1KMT2ATDP1SLC6A2
SCHEMBL4079600 0.92 CNR1 (0.53) CNR1ALDH1A1KMT2ANPSR1LMNA
SCHEMBL20154164 0.77 ALDH1A1 (0.52) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL19864297 0.76 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL19840110 0.76 KMT2A (0.65) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL7110115 0.76 CNR1 (0.62) CNR1ALDH1A1HPGDFABP4FABP5
SCHEMBL4075806 0.76 CNR1 (0.57) CNR1ALDH1A1KDM4EMAPTPKM
SCHEMBL20154227 0.72 TDP1 (0.50) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL16382562 0.72 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL22005651 0.72 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057051-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2006-06-06 US claimed
US-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2006-04-27 US claimed
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2003-06-19 US claimed
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7057051-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2006-06-06 US disclosed
US-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2006-04-27 US disclosed
US-20050171161-A1 antagonizing Cannabinoid-1 (CB1) receptors and inhibiting the enzyme 11 beta -hydroxy steroid dehydrogenase-1 (11 beta -HSD1); appetite suppresion FONG TUNG M (US) 2005-08-04 US disclosed
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2003-06-19 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-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885ALDH1A1 3232/4885KMT2A 2183/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 CNR1 1/4885ALDH1A1 3232/4885KMT2A 2183/4885
US-20050171161-A1 antagonizing Cannabinoid-1 (CB1) receptors and inhibiting the enzyme 11 beta -hydroxy steroid dehydrogenase-1 (11 beta -HSD1); appetite suppresion CNR1, HSD11B1, HSD17B1 CNR1 1/4885ALDH1A1 453/4885KMT2A 3110/4885

“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.