SCHEMBL5089466

SCHEMBL5089466

O=C1CC[C@@H](NC(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.37
MTNR1B P49286 8/20 0.37
THRB P10828 1/20 0.37
APOL1 O14791 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
ACHE P22303 3/20 0.31
TLR4 O00206 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5006986 1.00 MTNR1A (0.37) MTNR1AMTNR1BTHRBAPOL1CA1
SCHEMBL5091076 1.00 MTNR1A (0.37) MTNR1AMTNR1BTHRBAPOL1CA1
SCHEMBL23881931 0.88 THRB (0.46) THRBCYP3A4CYP2C9CYP2C19
SCHEMBL3485253 0.88 THRB (0.46) THRBCYP3A4CYP2C9CYP2C19
SCHEMBL743138 0.86 EPHX1 (0.36) TLR4CYP3A4CYP2C19
SCHEMBL3221585 0.86 THRB (0.41) THRBCYP3A4
SCHEMBL2634531 0.81
SCHEMBL4420636 0.81 MTNR1A (0.56) MTNR1AMTNR1BTHRBCA1CA2
SCHEMBL31551125 0.81 MTNR1A (0.36) MTNR1AMTNR1BTHRBAPOL1CA1
Acetic Acid SCHEMBL28266825 0.81 TLR4 (0.37) MTNR1AMTNR1BTHRBTLR4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4277893-A1 INDOLE DERIVATIVES AS KINASE INHIBITORS GB005, Inc. (US) 2023-11-22 EP disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230174481-A1 KINASE INHIBITORS VIDYA THERAPEUTICS, INC. 2023-06-08 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-20220409593-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS 2022-12-29 US disclosed
WO-2022155111-A1 INDOLE DERIVATIVES AS KINASE INHIBITORS GB005, INC. (US) 2022-07-21 WO disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-11046699-B2 Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses RAPT THERAPEUTICS, INC. (US) 2021-06-29 US disclosed
EP-3802544-A1 PYRAZOLO-PYRIMIDIN-AMINO-CYCLOALKYL COMPOUNDS AND THEIR THERAPEUTIC USES RAPT Therapeutics, Inc. (US) 2021-04-14 EP disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 EP disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
US-20080153851-A1 Cycloalkyl Piperidine Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-06-26 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 (8 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MTNR1A 461/4885MTNR1B 332/4885THRB 2102/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MTNR1A 461/4885MTNR1B 332/4885THRB 2102/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MTNR1A 461/4885MTNR1B 332/4885THRB 2102/4885
US-11046699-B2 Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses GLS, GLS2, TK2 MTNR1A 1831/4885MTNR1B 1212/4885THRB 1910/4885
US-20230174481-A1 KINASE INHIBITORS BTK, LYN, LCK MTNR1A 4361/4885MTNR1B 4177/4885THRB 1591/4885
US-20220409593-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME GRN, PSEN1, PSEN2 MTNR1A 2203/4885MTNR1B 2082/4885THRB 3445/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MTNR1A 461/4885MTNR1B 332/4885THRB 2102/4885
US-20080153851-A1 Cycloalkyl Piperidine Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 MTNR1A 388/4885MTNR1B 265/4885THRB 2370/4885

“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.