SCHEMBL7085213

SCHEMBL7085213

O=C1CC(=O)OC(CCc2ccccc2F)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
DAO P14920 3/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
CYP3A4 P08684 1/20 0.35
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34

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
SCHEMBL5672795 1.00 TAAR1 (0.39) TAAR1DAOMAOAMAOBPTGER4
SCHEMBL5671815 0.79 CYP3A4 (0.54) CYP3A4
SCHEMBL7080429 0.79 CYP3A4 (0.54) CYP3A4
SCHEMBL5672405 0.77 CA3 (0.40) TAAR1DAOMAOBPTGER4PTGER3
SCHEMBL5672688 0.75 DAO (0.41) TAAR1DAOMAOAMAOBPTGER4
SCHEMBL5672870 0.73 CYP3A4 (0.68) TAAR1MAOACYP3A4
SCHEMBL5672862 0.73 CYP3A4 (0.68) TAAR1MAOACYP3A4
SCHEMBL29432878 0.73 TAAR1 (0.50) TAAR1MAOAMAOB
SCHEMBL1499296 0.73 TAAR1 (0.50) TAAR1MAOAMAOB
SCHEMBL11457781 0.72 ALDH1A1 (0.48) TAAR1DAOMAOAMAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236302-A1 Synthetic derivatives SYNTA PHARMACEUTICALS CORP. 2003-12-25 US disclosed
WO-2003072103-A1 SYNTHETIC DERIVATIVES KAVA PHARMACEUTICALS, INC. (US) 2003-09-04 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-20030236302-A1 Synthetic derivatives CBR1, CBR3, REL TAAR1 435/4885DAO 459/4885MAOA 2658/4885

“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.