SCHEMBL6989828

SCHEMBL6989828

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2111440 0.85 FDPS (0.37) FDPSALDH1A1TSHR
Bromide SCHEMBL30442463 0.81 FDPS (0.35) FDPSALDH1A1TSHR
SCHEMBL105130 0.76 TSHR (0.40) L3MBTL1ALDH1A1TSHR
SCHEMBL23896733 0.76 ALDH1A1 (0.44) FDPSALDH1A1TSHR
SCHEMBL23143150 0.73 FDPS (0.30) FDPS
SCHEMBL7808394 0.73 CES2 (0.34) FDPS
SCHEMBL23896738 0.73 ALDH1A1 (0.36) FDPSALDH1A1
Methyl Alcohol SCHEMBL27684406 0.72 ALDH1A1 (0.38) L3MBTL1ALDH1A1TSHR
SCHEMBL189800 0.69
SCHEMBL31421734 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931082-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 1999-11-17 EP claimed
EP-0931082-A1 NODULISPORIC ACID DERIVATIVES Merck & Co., Inc. (a New Jersey corp.) (US) 1999-07-28 EP claimed
WO-1998012196-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1998-03-26 WO claimed
US-20230038124-A1 NOVEL SUBSTITUTED CONDENSED RING COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-02-09 US disclosed
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
US-9458171-B2 Pyrrolidinyl sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-7622468-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-11-24 US disclosed
US-20090042854-A1 Hexahydro-3H-Pyrrolizin-3-Ones Useful as Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
EP-0931082-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2003-03-19 EP disclosed
US-6221894-B1 ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS. MERCK & CO., INC. 2001-04-24 US disclosed
EP-0931082-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 1999-11-17 EP disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed
EP-0931082-A1 NODULISPORIC ACID DERIVATIVES Merck & Co., Inc. (a New Jersey corp.) (US) 1999-07-28 EP disclosed
WO-1998012196-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1998-03-26 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 (5 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-20090042854-A1 Hexahydro-3H-Pyrrolizin-3-Ones Useful as Tachykinin Receptor Antagonists TACR1, PROKR1, TACR2 FDPS 2442/4885L3MBTL1 4768/4885ALDH1A1 1161/4885
US-20230038124-A1 NOVEL SUBSTITUTED CONDENSED RING COMPOUND CYP51A1, HDAC11, MMP9 FDPS 1084/4885L3MBTL1 1686/4885ALDH1A1 232/4885
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 FDPS 3619/4885L3MBTL1 3311/4885ALDH1A1 1533/4885
US-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 FDPS 2990/4885L3MBTL1 3831/4885ALDH1A1 1871/4885
US-20150191483-A1 PYRROLIDINYL SULFONE RORGAMMA MODULATORS RORC, RORB, RORA FDPS 747/4885L3MBTL1 4665/4885ALDH1A1 1269/4885

“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.