SCHEMBL15560202

SCHEMBL15560202

CCOC(=O)CN1CCN(c2ccc(-c3ccc4nc(C)n(Cc5ccccc5OC(F)F)c4c3)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TNF P01375 1/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
BACE1 P56817 1/20 0.35
SLC27A1 Q6PCB7 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
GPR6 P46095 1/20 0.35
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
RET P07949 2/20 0.34
THRB P10828 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
Hydrochloric Acid SCHEMBL16756445 0.91 PPARD (0.40) TNFPPARDPPARASLC27A1GPR6
SCHEMBL16756259 0.88 PPARD (0.40) TNFPPARDPPARATLR7HTR1A
SCHEMBL16756302 0.87 PPARD (0.40) KDM4ETNFPPARDPPARATLR7
SCHEMBL16756602 0.87 TLR7 (0.38) TNFPPARDPPARATLR7HTR1A
SCHEMBL16756277 0.86 METAP2 (0.38) TNFPPARDPPARATLR7GRIN1
SCHEMBL16756387 0.84 HTR6 (0.42) TLR7GRIN1GRIN2BKCNH2
SCHEMBL20278327 0.79 TLR9 (0.42) TLR7KCNH2
SCHEMBL16756344 0.78 TNF (0.44) HTTTNFPPARDPPARATLR7
SCHEMBL24060190 0.78 HTR6 (0.41) TLR7RETKCNH2
SCHEMBL16756580 0.77 TLR7 (0.44) PPARDPPARATLR7GRIN1GRIN2B

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 4 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
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 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 (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 ITGB2 1627/4885ICAM1 71/4885ITGAL 889/4885

“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.