SCHEMBL2099518

SCHEMBL2099518

CCCCN1C[CH]CCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.35
LTA4H P09960 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL1080135 0.94 GNAO1 (0.41) LTA4HHRH3GNAI3GNAO1GNAI1
SCHEMBL8012311 0.92 GNAO1 (0.44) LTA4HHRH3GNAI3GNAO1GNAI1
SCHEMBL9167508 0.92 GNAO1 (0.44) LTA4HHRH3GNAI3GNAO1GNAI1
SCHEMBL2010715 0.87
SCHEMBL1199910 0.87
SCHEMBL1081412 0.81 GNAO1 (0.44) GNAI3GNAO1GNAI1EBPSIGMAR1
SCHEMBL16799683 0.79 GNAO1 (0.47) GNAI3GNAO1GNAI1EBPSIGMAR1
SCHEMBL250188 0.78
SCHEMBL7538960 0.78 GNAI3 (0.46) LTA4HHRH3GNAI3GNAO1GNAI1
SCHEMBL4533321 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114127065-A Compounds for the treatment of neurodegenerative diseases and cancer 鸿仪有限责任公司 2022-03-01 CN claimed
US-8895565-B2 Heterocyclic compound and use of the same NISHIO TETSUYA (JP) 2014-11-25 US disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME NISHIO TETSUYA (JP) 2011-12-29 US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP disclosed
US-4525356-A UROGENITAL DISORDERS HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
EP-0108986-A1 N-substituted flavone-8-carboxamides Hokuriku Pharmaceutical Co.,Ltd (JP) 1984-05-23 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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 GLB1 1327/4885LTA4H 1505/4885HRH3 2038/4885
US-20110319618-A1 HETEROCYCLIC COMPOUND AND USE OF THE SAME CYP2D6, CYP2B6, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GLB1 730/4885LTA4H 1068/4885HRH3 92/4885

“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.