SCHEMBL4076184

SCHEMBL4076184

C[Si](C)(C)CCOCn1c(C(=O)OCc2ccccc2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.46
F11 P03951 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DHODH Q02127 2/20 0.41
CYP19A1 P11511 1/20 0.40
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
GCGR P47871 1/20 0.38
SLC2A2 P11168 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL7041230 0.86 NPSR1 (0.44) DGAT1F11NPSR1CYP19A1CNR1
SCHEMBL4079600 0.80 CNR1 (0.53) NPSR1DHODHCYP19A1CNR1MEN1
SCHEMBL4083512 0.79 F11 (0.42) F11NPSR1KDM4EMEN1KMT2A
SCHEMBL7047749 0.77 ALDH1A1 (0.42) F11NPSR1MEN1CYP1A2CYP3A4
SCHEMBL7044541 0.76 CNR1 (0.51) NPSR1CNR1
SCHEMBL7042641 0.75 DRD2 (0.53) NPSR1CYP19A1CNR1
SCHEMBL4077619 0.72 CNR1 (0.53) NPSR1CNR1KDM4EMEN1KMT2A
SCHEMBL16331123 0.71 DGAT1 (0.61) DGAT1KDM4ECYP1A2KMT2AMAPT
SCHEMBL4076271 0.71 CNR1 (0.51) DHODHCYP19A1CNR1KDM4EMEN1
SCHEMBL2846531 0.70 FAAH (0.43) F11KDM4EMEN1CYP3A4CYP2C19

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 8 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-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-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 (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-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 DGAT1 3161/4885F11 1851/4885NPSR1 64/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 DGAT1 3161/4885F11 1851/4885NPSR1 64/4885

“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.