SCHEMBL16756259

SCHEMBL16756259

Cc1nc2ccc(-c3ccc(N4CCN(CCC(=O)O)CC4)nc3)cc2n1Cc1ccccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.40
PPARA Q07869 3/20 0.40
TNF P01375 1/20 0.37
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
DRD3 P35462 1/20 0.37
GPR6 P46095 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
RET P07949 1/20 0.36
EED O75530 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
Hydrochloric Acid SCHEMBL16756445 0.92 PPARD (0.40) PPARDPPARATNFGPR6SPHK1
SCHEMBL16756302 0.89 PPARD (0.40) PPARDPPARATNFTLR7RET
SCHEMBL16756602 0.88 TLR7 (0.38) PPARDPPARATNFHTR1ADRD4
SCHEMBL15560202 0.88 ITGB2 (0.37) PPARDPPARATNFHTR1AGPR6
SCHEMBL16756277 0.86 METAP2 (0.38) PPARDPPARATNFDRD4TLR7
SCHEMBL16756387 0.84 HTR6 (0.42) SLC6A4TLR9TLR8TLR7SPHK1
SCHEMBL20278327 0.79 TLR9 (0.42) TLR9TLR8TLR7SPHK1KCNH2
SCHEMBL24060190 0.79 HTR6 (0.41) TLR9TLR8TLR7RETSPHK1
SCHEMBL16756586 0.78 TNF (0.45) PPARDPPARATNFTLR7SPHK1
SCHEMBL16756580 0.77 TLR7 (0.44) PPARDPPARATLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
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 PPARD 537/4885PPARA 1431/4885TNF 1/4885

“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.