SCHEMBL18159824

SCHEMBL18159824

OCCC1(O)CCN(c2ncc(-c3ccc4nc5n(c4c3)C(c3ccccc3)COC5)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.38
DGAT1 O75907 1/20 0.33
AOC3 Q16853 1/20 0.32
MCHR1 Q99705 1/20 0.32
USP19 O94966 1/20 0.32
BRD4 O60885 2/20 0.31

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
SCHEMBL18150939 1.00 TNF (0.38) TNFDGAT1AOC3MCHR1USP19
SCHEMBL18151022 0.95 TNF (0.37) TNFDGAT1USP19
SCHEMBL18159823 0.88 TNF (0.35) TNFAOC3BRD4
SCHEMBL18151546 0.88 TNF (0.37) TNFDGAT1AOC3BRD4
SCHEMBL18150982 0.87 TNF (0.34) TNFAOC3BRD4
SCHEMBL18150965 0.86 TNF (0.36) TNFAOC3BRD4
SCHEMBL18151021 0.85 TNF (0.34) TNFAOC3BRD4
SCHEMBL31292071 0.85 TNF (0.39) TNFAOC3BRD4
SCHEMBL18151653 0.85 TNF (0.37) TNFBRD4
SCHEMBL18150738 0.84 AOC3 (0.43) TNFAOC3

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-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 TNF 1/4885DGAT1 2303/4885AOC3 4036/4885

“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.