SCHEMBL13697339

SCHEMBL13697339

CCCCOc1ncc(C(F)(F)F)cc1C1=C(c2cccc(C(=O)OCC)n2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
SCN9A Q15858 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGER1 P34995 1/20 0.36
GABRP O00591 3/20 0.35
GABRD O14764 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRB1 P18505 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRA4 P48169 3/20 0.35
GABRE P78334 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRG1 Q8N1C3 3/20 0.35

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
SCHEMBL13697475 0.90 PTGER1 (0.44) SCN9ACYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL13696906 0.88 MAOB (0.44) CYP1A2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL13696718 0.88 PTGER1 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL4158553 0.87 PTGER1 (0.39) CYP1A2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL4153864 0.87 PTGER1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL13696729 0.87 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL4164138 0.86 PTGER1 (0.43) CYP1A2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL4159375 0.86 PTGER1 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19PTGER1
SCHEMBL4162625 0.86 PTGER1 (0.43) CYP1A2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL4160639 0.85 PTGER1 (0.46) CYP1A2SCN9ACYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 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 (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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B CYP1A2 72/4885SCN9A 1429/4885CYP3A4 271/4885

“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.