SCHEMBL4997191

SCHEMBL4997191

CCCCCC1CNCC(O)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.40
SPHK1 Q9NYA1 2/20 0.39
GUSB P08236 1/20 0.39
GLB1 P16278 4/20 0.37
GBA2 Q9HCG7 2/20 0.37

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
SCHEMBL19090078 0.94 GLB1 (0.41) GBA1SPHK1GUSBGLB1GBA2
SCHEMBL12778007 0.86 GBA1 (0.35) GBA1GLB1
SCHEMBL6400664 0.86 CYP1A2 (0.39) GBA1SPHK1GUSBGLB1GBA2
SCHEMBL7569033 0.81
Hexane SCHEMBL27533368 0.81 GBA1 (0.47) GBA1SPHK1GUSBGLB1GBA2
SCHEMBL14256046 0.80 CYP1A2 (0.35) GBA1SPHK1GUSBGLB1GBA2
SCHEMBL21011949 0.79 ALDH1A1 (0.44) GBA1SPHK1GUSBGLB1GBA2
SCHEMBL15538424 0.77 ALDH1A1 (0.43) GBA1SPHK1GUSB
SCHEMBL14996458 0.77
SCHEMBL21703669 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 US disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
EP-1773805-A1 QUINAZOLIN-4-YL-PIPERIDINE AND CINNOLIN-4-YL-PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Incorporated (US) 2007-04-18 EP disclosed
WO-2006011040-A1 QUINAZOLIN-4-YL- PIPERIDINE AND CINNOLIN-4-YL- PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PFIZER INC 2006-01-26 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 (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-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PDE5A, PDE4A, PDE3A GBA1 719/4885SPHK1 576/4885GUSB 1931/4885
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B GBA1 263/4885SPHK1 1243/4885GUSB 1014/4885

“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.