SCHEMBL3765728

SCHEMBL3765728

COC(=O)c1ccc(NCC2CCC(F)(F)CC2)c(N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.64
MAPT P10636 6/20 0.49
KDM4E B2RXH2 5/20 0.49
GAA P10253 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 3/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
ALOX15 P16050 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ERAP2 Q6P179 4/20 0.42
LNPEP Q9UIQ6 4/20 0.42
CNR2 P34972 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 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
SCHEMBL3998365 0.89 PTGER4 (0.79) PTGER4MAPTKDM4EGAAALDH1A1
SCHEMBL3764360 0.85 PTGER4 (0.70) PTGER4MAPTKDM4EGAAALDH1A1
SCHEMBL3996157 0.83 PTGER4 (0.67) PTGER4MAPTKDM4EGAAALDH1A1
SCHEMBL3759649 0.82 KMT2A (0.52) PTGER4MAPTALDH1A1HPGDNPC1
SCHEMBL10048485 0.82 PTGER4 (0.47) PTGER4ALDH1A1HPGDSMN1; SMN2
SCHEMBL23286972 0.81 PTGER4 (0.63) PTGER4MAPTKDM4EGAAALDH1A1
SCHEMBL27478656 0.79 PTGER4 (0.57) PTGER4MAPTKDM4EGAAALDH1A1
SCHEMBL8041876 0.79 PTGER4 (0.61) PTGER4MAPTKDM4EGAAALDH1A1
SCHEMBL584850 0.79 PTGER4 (0.46) PTGER4ALDH1A1NPC1
SCHEMBL15774884 0.78 PTGER4 (1.00) PTGER4MAPTKDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2010-12-02 US disclosed
US-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2010-12-02 US disclosed
US-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2010-12-02 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
EP-2035409-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANATGONIST FOR THE CB1-RECEPTOR AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2007145563-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007145563-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
EP-1636193-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004108688-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2004-12-16 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 (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-20100305140-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR CNR1, CNR2, CCKAR PTGER4 184/4885MAPT 4180/4885KDM4E 1815/4885
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof BTF3, TYMS, F3 PTGER4 275/4885MAPT 2820/4885KDM4E 2805/4885

“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.