SCHEMBL5792002

SCHEMBL5792002

CCCCC(N)c1ccccc1N(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.36
▸ SLC2A1 P11166 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ CFD P00746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ TSHR P16473 1/20 0.30

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
SCHEMBL5795571 0.78 TAAR1 (0.36) ALDH1A1TSHR
SCHEMBL5792353 0.77 TSHR (0.50) IKBKBSLC2A1CSNK1EKDM4EALDH1A1
SCHEMBL11098226 0.75 FFAR1 (0.42) KDM4EALDH1A1SIGMAR1TSHR
SCHEMBL1537231 0.75 CYP1A2 (0.43) IKBKBSLC2A1CSNK1EKDM4EALDH1A1
SCHEMBL26999631 0.75 ESR1 (0.41) IKBKBSLC2A1CSNK1ECA2
SCHEMBL30125051 0.74 TSHR (0.38) ALDH1A1TSHR
SCHEMBL1552804 0.74 TSHR (0.38) ALDH1A1TSHR
SCHEMBL1728815 0.74 IDO1 (0.39) IKBKBSLC2A1CSNK1ECFDALDH1A1
SCHEMBL1727508 0.74 IDO1 (0.39) IKBKBSLC2A1CSNK1ECFDALDH1A1
SCHEMBL3733185 0.72 TSHR (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 — — US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 — — US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 — — EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 — — WO disclosed
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 — — US disclosed
WO-2006035157-A2 SUBSTITUTED N-(BENZYL)PHENYLACETAMIDE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME AS PPAR LIGANDS IN THE TREATMENT OF LIPID AND/OR GLUCIDIC DISORDERS GENFIT (FR) 2006-04-06 — — 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 (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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA IKBKB 194/4885SLC2A1 4856/4885CSNK1E 214/4885
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN IKBKB 835/4885SLC2A1 2661/4885CSNK1E 3970/4885

“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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