SCHEMBL6095533

SCHEMBL6095533

FC(F)(F)c1cccc(N2CCN(Cc3nc4ccccc4n3Cc3nc4ccccc4[nH]3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.56
HTR1A P08908 2/20 0.52
OPRM1 P35372 2/20 0.52
ABCB11 O95342 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
KCNH2 Q12809 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR2A P28223 1/20 0.52
GRM2 Q14416 3/20 0.51
ALDH1A2 O94788 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALDH2 P05091 1/20 0.51
ALDH3A1 P30838 1/20 0.51

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
SCHEMBL6095407 0.90 DRD4 (0.64) DRD4HTR1AKCNH2ADRA2CHTR2A
SCHEMBL6095488 0.79 GRM2 (0.50) DRD4OPRM1DRD3GRM2ALDH1A2
SCHEMBL7701573 0.78 GRM2 (0.48) DRD4HTR1AOPRM1ABCB11ADRA2A
SCHEMBL6874013 0.78 DRD4 (0.56) DRD4HTR1AKCNH2ADRA2CHTR2A
SCHEMBL6096279 0.77 DRD4 (0.76) DRD4GRM2ALDH1A1DRD2KDM4E
SCHEMBL18658152 0.76 HTT (0.57) DRD4HTR1AKCNH2ADRA2CHTR2A
SCHEMBL23964164 0.75 DRD4 (0.68) DRD4HTR1AKCNH2ADRA2CHTR2A
SCHEMBL6095609 0.74 HTT (0.49) DRD4KCNH2ALDH1A2ALDH1A1ALDH2
SCHEMBL6095538 0.74 DRD4 (0.48) DRD4HTR1AOPRM1ABCB11ADRA2A
SCHEMBL4809921 0.73 DRD4 (1.00) DRD4HTR1AADRA2CHTR2AGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US claimed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US claimed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 WO claimed
US-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 DRD4 1827/4885HTR1A 3692/4885OPRM1 3238/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 DRD4 1827/4885HTR1A 3692/4885OPRM1 3238/4885

“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.