SCHEMBL5792763

SCHEMBL5792763

CCCCC(N)c1ccccc1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ KCNQ2 O43526 3/20 0.39
▸ MC4R P32245 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ HTR1A P08908 1/20 0.36

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 SCHEMBL17871814 0.99 KEAP1 (0.42) KEAP1LMNAALDH1A1GAAMAPK1
SCHEMBL7900199 0.96 KEAP1 (0.42) KEAP1LMNAALDH1A1GAAMAPK1
SCHEMBL5794047 0.94 LMNA (0.42) KEAP1LMNAALDH1A1GAAMAPK1
SCHEMBL5792889 0.91 KEAP1 (0.46) KEAP1LMNAALDH1A1GAAMAPK1
SCHEMBL7897470 0.91 KEAP1 (0.46) KEAP1LMNAALDH1A1GAAMAPK1
SCHEMBL2339105 0.91 KEAP1 (0.46) KEAP1LMNAALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL10638555 0.90 KEAP1 (0.45) KEAP1LMNAALDH1A1GAAMAPK1
SCHEMBL7896588 0.89 KCNQ2 (0.44) KEAP1ALDH1A1GAAMAPK1KCNQ2
SCHEMBL19665213 0.84 KEAP1 (0.45) KEAP1GAAMAPK1KCNQ2MC4R
SCHEMBL5795936 0.84 LMNA (0.44) KEAP1LMNAALDH1A1GAAMAPK1

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 9 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
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
US-RE37035-E1 HYPOGLYCEMIC AGENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-30 — — US disclosed
US-6143769-A ENANTIOMORPH KARL THOMAE GMBH (DE) 2000-11-07 — — US disclosed
US-5312924-A Compounds for lowering blood sugar and effecting metabolism DR. KARL THOMAE GMBH (DE) 1994-05-17 — — US disclosed
US-5216167-A Hypoglycemic agents DR. KARL THOMAE GMBH (DE) 1993-06-01 — — US disclosed
EP-0147850-A2 Phenylacetic-acid derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-07-10 — — EP 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 KEAP1 1098/4885LMNA 3754/4885ALDH1A1 976/4885
US-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN KEAP1 714/4885LMNA 1111/4885ALDH1A1 845/4885

“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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