SCHEMBL2841364

SCHEMBL2841364

O=C(O)C=CCN1CCC(O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
GABRR2 P28476 2/20 0.35
BLM P54132 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MCHR1 Q99705 1/20 0.35
KCNA3 P22001 1/20 0.34
ARG1 P05089 2/20 0.33
ARG2 P78540 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CCR3 P51677 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2841362 1.00 GABRR1 (0.35) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL2837931 0.89 PDCD1 (0.35) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL16895692 0.89 PDCD1 (0.35) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL16895689 0.89 PDCD1 (0.35) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL2837932 0.89 PDCD1 (0.35) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL16901703 0.89 PDCD1 (0.35) GABRR1GABRR2BLMGABRR3LMNA
Hydrochloric Acid SCHEMBL16896016 0.87 OPRK1 (0.34) GABRR1GABRR2BLMGABRR3LMNA
Hydrochloric Acid SCHEMBL16896012 0.87 OPRK1 (0.34) GABRR1GABRR2BLMGABRR3LMNA
Hydrochloric Acid SCHEMBL16896013 0.87 OPRK1 (0.34) GABRR1GABRR2BLMGABRR3LMNA
Hydrochloric Acid SCHEMBL16896014 0.87 OPRK1 (0.34) GABRR1GABRR2BLMGABRR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP claimed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP claimed
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed
EP-2896612-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings LLC (US) 2015-07-22 EP disclosed
EP-2253620-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH HOLDINGS LLC (US) 2014-03-12 EP disclosed
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP disclosed
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer WYETH (US) 2009-12-31 US disclosed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP disclosed
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 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 (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-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 GABRR1 1205/4885GABRR2 1282/4885BLM 4529/4885

“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.