SCHEMBL4022189

SCHEMBL4022189

[O]CCCCN1CCC(O)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.41
SPHK1 Q9NYA1 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
ARG1 P05089 2/20 0.39
ARG2 P78540 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
ACHE P22303 1/20 0.39
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
MAOB P27338 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL8022491 0.98 SPHK1 (0.42) KCNA3SPHK1HRH3ARG1ARG2
SCHEMBL8015295 0.98 SPHK1 (0.42) KCNA3SPHK1HRH3ARG1ARG2
SCHEMBL1099388 0.93 KCNA3 (0.42) KCNA3SPHK1HRH3ARG1ARG2
SCHEMBL1099705 0.84 KCNA3 (0.44) KCNA3SPHK1HRH3ARG1ARG2
SCHEMBL4295354 0.81 PDCD1 (0.48) KCNA3HRH3HRH2HRH1PDCD1
SCHEMBL1360021 0.81 PDCD1 (0.48) KCNA3HRH3HRH2HRH1PDCD1
SCHEMBL4295715 0.81 PDCD1 (0.48) KCNA3HRH3HRH2HRH1PDCD1
SCHEMBL10371237 0.80 KCNA3 (0.42) KCNA3SPHK1HRH3ARG1ARG2
SCHEMBL4022192 0.80 KCNA3 (0.42) KCNA3SPHK1HRH3ARG1ARG2
SCHEMBL8951996 0.78 KCNA3 (0.41) KCNA3SPHK1HRH3ARG1ARG2

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 15 patents. 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-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO 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-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 (1 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-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.