SCHEMBL1698558

SCHEMBL1698558

CC(C)N1CC(=O)NCC1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.35
TOP2B Q02880 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL25326807 0.96 TOP2A (0.33) TOP2ATOP2BMAPTALDH1A1TDP1
SCHEMBL9647958 0.83 TOP2A (0.33) TOP2ATOP2BMAPTALDH1A1TDP1
SCHEMBL9180587 0.83 TOP2A (0.33) TOP2ATOP2BMAPTALDH1A1TDP1
SCHEMBL28166929 0.80 TSHR (0.35) TOP2ATOP2BMAPTALDH1A1TDP1
SCHEMBL28166928 0.80 TSHR (0.35) TOP2ATOP2BMAPTALDH1A1TDP1
SCHEMBL27365526 0.80 TSHR (0.32)
SCHEMBL5248002 0.78 LMNA (0.32)
SCHEMBL13513137 0.75
SCHEMBL877545 0.75 KMT2A (0.46) ALDH1A1
SCHEMBL13290569 0.73 MAPT (0.41) TOP2ATOP2BMAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023198325-A1 PROCESS FOR MANUFACTURING A DETERGENT PORTION UNIT HENKEL AG & CO. KGAA (DE) 2023-10-19 WO disclosed
EP-3983402-B1 1-((S)-1-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)ETHYL)-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES PHARVARIS GMBH (CH) 2023-08-16 EP disclosed
US-20220135542-A1 1-((S)-1-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)ETHYL)-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES PHARVARIS GMBH (CH) 2022-05-05 US disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABBOTT LABORATORIES 2006-02-02 US disclosed
EP-0216746-A2 Process to prepare 2,5-diketopiperazines Monsanto Company (US) 1987-04-01 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 (6 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-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABL1, MAP3K19, MAP3K20 TOP2A 564/4885TOP2B 475/4885MAPT 2567/4885
US-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TOP2A 3221/4885TOP2B 2270/4885MAPT 4551/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TOP2A 3221/4885TOP2B 2270/4885MAPT 4551/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TOP2A 3221/4885TOP2B 2270/4885MAPT 4551/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 TOP2A 3221/4885TOP2B 2270/4885MAPT 4551/4885
US-20220135542-A1 1-((S)-1-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)ETHYL)-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES BDKRB2, BDKRB1, BRCA1 TOP2A 3618/4885TOP2B 3663/4885MAPT 4290/4885

“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.