SCHEMBL2089720

SCHEMBL2089720

COC(=O)c1ccc(OCC2CC2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.50
PARP15 Q460N3 4/20 0.50
SCN9A Q15858 2/20 0.50
ABHD6 Q9BV23 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
ESRRA P11474 1/20 0.42
CNR2 P34972 2/20 0.42
PDK2 Q15119 1/20 0.42
GCGR P47871 1/20 0.41
CFTR P13569 1/20 0.41
ACACB O00763 2/20 0.41
PTGER4 P35408 1/20 0.41
EPHX2 P34913 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ACACA Q13085 1/20 0.41
WDR5 P61964 1/20 0.40

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
SCHEMBL16628428 0.85 ALDH1A1 (0.44) PARP10PARP15SCN9AESRRACFTR
SCHEMBL3225627 0.83 PARP10 (0.67) PARP10PARP15SCN9APARP2ACACB
SCHEMBL1856415 0.83 PARP10 (0.64) PARP10PARP15SCN9APARP2ACACB
SCHEMBL1854146 0.81 PARP10 (0.51) PARP10PARP15SCN9APARP2ACACB
SCHEMBL8903105 0.81 CA12 (0.55) PARP10PARP15SCN9APARP2PDK2
SCHEMBL1941888 0.80 CFTR (0.43) ESRRACFTREPHX2THRATHRB
SCHEMBL16726459 0.80 THRA (0.60) ESRRACFTRTHRATHRB
SCHEMBL25935035 0.80 THRA (0.54) ESRRACFTRTHRATHRB
SCHEMBL1856929 0.80 PARP10 (0.50) PARP10PARP15SCN9APARP2ACACB
SCHEMBL1942565 0.80 CYP1A2 (0.46) ESRRACFTREPHX2THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
US-20090264648-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-10-22 US disclosed
WO-2009091832-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-07-23 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 (3 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 PARP10 3113/4885PARP15 3247/4885SCN9A 737/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 PARP10 2319/4885PARP15 2657/4885SCN9A 605/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 PARP10 1990/4885PARP15 1577/4885SCN9A 1363/4885

“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.