SCHEMBL1303955

SCHEMBL1303955

CC(C)(O)C1CCCN1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SPHK2 Q9NRA0 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
CNR2 P34972 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6304543 1.00 GBA1 (0.46) GBA1ALDH1A1SPHK2SPHK1CNR2
SCHEMBL1303954 1.00 GBA1 (0.46) GBA1ALDH1A1SPHK2SPHK1CNR2
SCHEMBL24926340 0.87 ACHE (0.45) GBA1ALDH1A1SPHK2SPHK1
SCHEMBL12410196 0.87 ACHE (0.45) GBA1ALDH1A1SPHK2SPHK1
SCHEMBL12176589 0.86 GBA1 (0.49) GBA1ALDH1A1SPHK2SPHK1
SCHEMBL3574294 0.85 ALDH1A1 (0.56) GBA1ALDH1A1SPHK2SPHK1
SCHEMBL25970425 0.84 SPHK2 (0.43) GBA1ALDH1A1SPHK2SPHK1
SCHEMBL9015295 0.83 LMNA (0.51) GBA1ALDH1A1SPHK2SPHK1
SCHEMBL20128479 0.83 LMNA (0.51) GBA1ALDH1A1SPHK2SPHK1
SCHEMBL14663972 0.83 ALDH1A1 (0.45) GBA1ALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493628-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 CN claimed
CN-113122053-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
CN-113493628-B Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2023-06-23 CN disclosed
EP-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 EP disclosed
CN-113493628-A Quantum dot ink and preparation method of quantum dot film TCL科技集团股份有限公司 2021-10-12 CN disclosed
CN-113122053-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 US disclosed
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2012-11-01 US disclosed
EP-2364308-B1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC (US) 2012-10-24 EP disclosed
US-8247418-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-08-21 US disclosed
US-8053438-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2011-11-08 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 US disclosed
WO-2010057121-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed
US-7692019-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2010-04-06 US disclosed
US-6964961-B2 Thiophene derivatives useful as anticancer agents PFIZER INC (US) 2005-11-15 US disclosed
EP-1287001-B1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2004-09-29 EP disclosed
EP-1287001-A1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2003-03-05 EP disclosed
US-20020042409-A1 Thiophene derivatives useful as anticancer agents PFIZER PRODUCTS INC. 2002-04-11 US disclosed
WO-2001094353-A1 THIOPHENE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2001-12-13 WO 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 (4 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-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A GBA1 949/4885ALDH1A1 929/4885SPHK2 1551/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A GBA1 949/4885ALDH1A1 929/4885SPHK2 1551/4885
US-20020042409-A1 Thiophene derivatives useful as anticancer agents TP53, RCC1, CCNA1 GBA1 824/4885ALDH1A1 494/4885SPHK2 1913/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A GBA1 1228/4885ALDH1A1 1799/4885SPHK2 2612/4885

“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.