SCHEMBL1099705

SCHEMBL1099705

[O]CCN1CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.44
SPHK1 Q9NYA1 1/20 0.40
ARG1 P05089 2/20 0.38
ARG2 P78540 2/20 0.38
TERT O14746 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1099388 0.86 KCNA3 (0.42) KCNA3SPHK1ARG1ARG2TERT
SCHEMBL1361941 0.86
SCHEMBL4022189 0.84 KCNA3 (0.41) KCNA3SPHK1ARG1ARG2HRH3
SCHEMBL8015295 0.82 SPHK1 (0.42) KCNA3SPHK1ARG1ARG2HRH3
SCHEMBL8022491 0.82 SPHK1 (0.42) KCNA3SPHK1ARG1ARG2HRH3
SCHEMBL21386103 0.80 KCNA3 (0.44) KCNA3SPHK1ARG1ARG2TERT
SCHEMBL1259722 0.79
SCHEMBL916463 0.77 SLC18A3 (0.48) KCNA3SPHK1ARG1ARG2GPR119
SCHEMBL5069750 0.77 HRH3 (0.34) HRH3
SCHEMBL1316224 0.76 LTA4H (0.40) ARG1ARG2HRH3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO claimed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO claimed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
EP-1780197-B9 5-SUBSTITUTED-2-PHENYLAMINO BENZAMIDES AS MEK INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-04-06 EP claimed
EP-1780197-B1 5-SUBSTITUTED-2-PHENYLAMINO BENZAMIDES AS MEK INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-10-20 EP claimed
US-7745663-B2 5-Substituted-2-phenylamino benzamides as MEK inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-06-29 US claimed
US-20090233915-A1 5-Substituted-2-Phenylamino Benzamides as MEK Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-09-17 US claimed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US claimed
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US claimed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US claimed
EP-1562955-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2005-08-17 EP claimed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP claimed
WO-2004108711-A1 PYRAZINIL QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004108704-A1 PYRIMIDIN-4-YL 3-CYANOQUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO claimed
WO-2004069827-A1 QUINOLINE DERIVATIVES AND USE THEREOF AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2004069250-A1 3-CYANO-QUINOLINE DERIVATIVES AS NON-RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-08-19 WO claimed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 WO claimed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO claimed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 KCNA3 832/4885SPHK1 1938/4885ARG1 28/4885
US-20090233915-A1 5-Substituted-2-Phenylamino Benzamides as MEK Inhibitors BRAF, RAF1, NRAS KCNA3 1972/4885SPHK1 954/4885ARG1 670/4885
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI KCNA3 1902/4885SPHK1 4306/4885ARG1 165/4885

“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.