SCHEMBL4022192

SCHEMBL4022192

OCCCCN1CCC(O)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.42
SPHK1 Q9NYA1 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
ACHE P22303 1/20 0.40
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
MAOB P27338 1/20 0.37
ARG1 P05089 2/20 0.36
ARG2 P78540 2/20 0.36
SLC18A3 Q16572 1/20 0.36
NR1H4 Q96RI1 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
SCHEMBL8022494 0.98 SPHK1 (0.44) KCNA3SPHK1HRH3HRH2HRH1
SCHEMBL8015299 0.98 SPHK1 (0.44) KCNA3SPHK1HRH3HRH2HRH1
SCHEMBL1099390 0.93 KCNA3 (0.43) KCNA3SPHK1HRH3HRH2HRH1
Hydrochloric Acid SCHEMBL27790308 0.91 KCNA3 (0.42) KCNA3SPHK1HRH3HRH2HRH1
SCHEMBL24556335 0.85 HRH3 (0.43) KCNA3SPHK1HRH3HRH2HRH1
SCHEMBL916463 0.83 SLC18A3 (0.48) KCNA3SPHK1ARG1ARG2SLC18A3
SCHEMBL11351863 0.80 SIGMAR1 (0.50) HRH3
SCHEMBL8951996 0.80 KCNA3 (0.41) KCNA3SPHK1HRH3HRH2HRH1
SCHEMBL4295718 0.80 PDCD1 (0.45) KCNA3HRH3HRH2HRH1
SCHEMBL4250726 0.80 GNAO1 (0.60) SPHK1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP claimed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO claimed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
WO-2023196444-A1 IONIZABLE CATIONIC LIPIDS AND LIPID NANOPARTICLES CAPSTAN THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
US-20230320995-A1 IONIZABLE CATIONIC LIPIDS AND LIPID NANOPARTICLES CAPSTAN THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-20230320995-A1 IONIZABLE CATIONIC LIPIDS AND LIPID NANOPARTICLES CAPSTAN THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
EP-3658522-B1 IMMUNOMODULATOR COMPOUNDS CHEMOCENTRYX INC (US) 2021-12-22 EP disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-6974872-B2 Process for production of piperidine derivatives AMR TECHNOLOGY, INC. (US) 2005-12-13 US disclosed
WO-2003047583-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
EP-0666265-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2000-01-26 EP disclosed
US-5527786-A ANTIDIABETIC AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-18 US disclosed
EP-0666265-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-08-09 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 (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-20230320995-A1 IONIZABLE CATIONIC LIPIDS AND LIPID NANOPARTICLES PLTP, LNPEP, PLIN3 KCNA3 2950/4885SPHK1 773/4885HRH3 2171/4885
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI KCNA3 1902/4885SPHK1 4306/4885HRH3 680/4885

“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.