SCHEMBL16756602

SCHEMBL16756602

Cc1nc2ccc(-c3ccc(N4CCN(CC(F)F)CC4)nc3)cc2n1Cc1ccccc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.38
GRIN1 Q05586 7/20 0.37
GRIN2B Q13224 7/20 0.37
RET P07949 3/20 0.36
DRD4 P21917 3/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD3 P35462 1/20 0.36
TNF P01375 1/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
GRM2 Q14416 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL16756277 0.91 METAP2 (0.38) TLR7GRIN1GRIN2BRETDRD4
SCHEMBL16756302 0.89 PPARD (0.40) TLR7GRIN1GRIN2BRETTNF
SCHEMBL16756387 0.89 HTR6 (0.42) TLR7GRIN1GRIN2BSLC6A4TLR9
Hydrochloric Acid SCHEMBL16756445 0.88 PPARD (0.40) GRIN1GRIN2BTNFPPARDPPARA
SCHEMBL16756259 0.88 PPARD (0.40) TLR7RETDRD4HTR1AHTR2A
SCHEMBL15560202 0.87 ITGB2 (0.37) TLR7GRIN1GRIN2BRETHTR1A
SCHEMBL20278327 0.83 TLR9 (0.42) TLR7TLR9TLR8
SCHEMBL24060190 0.82 HTR6 (0.41) TLR7RETTLR9TLR8
SCHEMBL16756580 0.81 TLR7 (0.44) TLR7GRIN1GRIN2BPPARDPPARA
SCHEMBL15560205 0.80 GRIN1 (0.47) TLR7GRIN1GRIN2BTNFPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 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 (1 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA TLR7 3878/4885GRIN1 1207/4885GRIN2B 960/4885

“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.