SCHEMBL497744

SCHEMBL497744

CCC(C)N(C(C)=O)C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
PIK3CD O00329 1/20 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
SCHEMBL498404 0.90 ALDH1A1 (0.31) ALDH1A1TDP1TSHRCHRM2CHRM4
SCHEMBL4721437 0.78 FFAR3 (0.33) TSHR
SCHEMBL12709698 0.78 CHRM2 (0.41) ALDH1A1TDP1TSHRCHRM2CHRM4
SCHEMBL2334377 0.78 TSHR (0.33) TSHR
Hydrochloric Acid SCHEMBL329196 0.76 FFAR3 (0.32) TSHR
SCHEMBL18611265 0.76
SCHEMBL329195 0.76 TSHR (0.36) ALDH1A1TSHR
SCHEMBL4234787 0.76 TSHR (0.32) TSHR
SCHEMBL4147316 0.76 TDP1 (0.32) ALDH1A1TDP1TSHRCHRNB2CHRNB4
SCHEMBL497743 0.76 TSHR (0.32) ALDH1A1TSHR

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695265-A1 METHOD AND COMPOSITION FOR OLIGONUCLEOTIDE SYNTHESIS Bachem Holding AG (CH) 2026-02-18 EP disclosed
EP-4605403-A1 METHOD AND COMPOSITION FOR OLIGONUCLEOTIDE SYNTHESIS Bachem Holding AG (CH) 2025-08-27 EP disclosed
WO-2025082632-A1 METHOD AND COMPOSITION FOR OLIGONUCLEOTIDE SYNTHESIS BACHEM HOLDING AG (CH) 2025-04-24 WO disclosed
WO-2024083746-A1 METHOD AND COMPOSITION FOR OLIGONUCLEOTIDE SYNTHESIS BACHEM HOLDING AG (CH) 2024-04-25 WO disclosed
US-9345709-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-05-24 US disclosed
US-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-11-19 US disclosed
US-9067937-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-06-30 US disclosed
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-01-01 US disclosed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0546409-B1 Method for the preparation of tetrahydropyrancarboxylic esters BASF AG (DE) 1998-10-21 EP disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed
US-5224987-A Aqueous carriers with colors and tertiary amide penetrants E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-06 US disclosed
EP-0546409-A1 Method for the preparation of tetrahydropyrancarboxylic esters BASF Aktiengesellschaft (DE) 1993-06-16 EP disclosed
US-4137305-A TOBACCO WILKINSON SWORD LIMITED (GB) 1979-01-30 US disclosed
US-4137304-A TOPICAL OR ORAL ADMINISTERED TOBACCO PRODUCT WILKINSON SWORD LIMITED (GB) 1979-01-30 US disclosed
US-4136164-A FOR USE IN FOODS, TOPICAL PREPARATIONS, AND TOBACCO WILKINSON SWORD LIMITED (GB) 1979-01-23 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-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 ALDH1A1 1717/4885TDP1 2201/4885TSHR 3751/4885
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 ALDH1A1 1717/4885TDP1 2201/4885TSHR 3751/4885

“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.