SCHEMBL16423615

SCHEMBL16423615

CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.48
▸ OPRM1 P35372 4/20 0.48

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
SCHEMBL23011158 0.93 LMNA (0.53) LMNATSHRCYP2C19MEN1CYP1A2
SCHEMBL1769341 0.91 LMNA (0.64) LMNATSHRCYP2C19MEN1CYP1A2
SCHEMBL12273135 0.88 LMNA (0.68) LMNATSHRCYP2C19MEN1CYP1A2
SCHEMBL3903075 0.85 L3MBTL1 (0.58) LMNATSHRCYP2C19MEN1CYP1A2
SCHEMBL6737966 0.85 OPRM1 (0.67) LMNATSHRCYP2C19MEN1CYP1A2
SCHEMBL23011352 0.83 NPC1 (0.46) LMNATSHRCYP2C19MEN1CYP1A2
SCHEMBL22992467 0.81 OPRM1 (0.52) LMNATSHRCYP2C19ALDH1A1OPRM1
SCHEMBL2324751 0.81 OPRM1 (0.52) LMNATSHRCYP2C19ALDH1A1HDAC1
SCHEMBL1625409 0.81 OPRM1 (0.67) LMNATSHRCYP2C19ALDH1A1OPRM1
SCHEMBL14731158 0.81 OPRM1 (0.52) LMNATSHRCYP2C19ALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073485-A1 Functionalised Amine Derivatives as IL-17 Modulators UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2022-03-10 — — US disclosed
EP-3894003-A1 FUNCTIONALISED AMINE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2021-10-20 — — EP disclosed
CN-113260418-A Functionalized amine derivatives as IL-17 modulators UCB生物制药有限责任公司 2021-08-13 — — CN disclosed
WO-2021027721-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2021-02-18 — — WO disclosed
WO-2020120141-A1 FUNCTIONALISED AMINE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2020-06-18 — — WO disclosed
US-9187453-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 — — US disclosed
US-20150094296-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-02 — — US disclosed
EP-2832734-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 — — 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-20220073485-A1 Functionalised Amine Derivatives as IL-17 Modulators IL17A, IL15, IL2 LMNA 4646/4885TSHR 1151/4885CYP2C19 98/4885
US-20150094296-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA LMNA 2866/4885TSHR 744/4885CYP2C19 3337/4885

“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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