SCHEMBL21783626

SCHEMBL21783626

CCS(=O)(=O)c1ccc(CNC(=O)N2CC(c3ccccc3)C(c3cccc(OC(F)(F)F)c3)C2)nc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 12/20 0.54
▸ TACR1 P25103 4/20 0.44
▸ RORC P51449 4/20 0.41

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
SCHEMBL21783697 0.88 RORC (0.51) NAMPTTACR1RORC
SCHEMBL20283162 0.87 NAMPT (0.43) NAMPTTACR1RORC
SCHEMBL20283031 0.87 NAMPT (0.52) NAMPTRORC
SCHEMBL23021410 0.85 NAMPT (0.45) NAMPTTACR1RORC
SCHEMBL20282895 0.81 NAMPT (0.43) NAMPTRORC
SCHEMBL20283026 0.77 NAMPT (0.42) NAMPTRORC
SCHEMBL20283007 0.77 NAMPT (0.42) NAMPTRORC
SCHEMBL21783640 0.77 NAMPT (0.40) NAMPTRORC
SCHEMBL23021564 0.76 RORC (0.51) NAMPTTACR1RORC
SCHEMBL20283159 0.75 NAMPT (0.42) NAMPTRORC

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-10954215-B2 Compounds as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-23 — — US disclosed
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 — — 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-10954215-B2 Compounds as modulators of ROR gamma RORB, RORC, RORA NAMPT 1562/4885TACR1 610/4885RORC 2/4885
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORC, RORB, RORA NAMPT 1203/4885TACR1 928/4885RORC 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.

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