SCHEMBL2090719

SCHEMBL2090719

Nc1cc(-c2ccc(OCC3CC3)c(F)c2F)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.41
ALOX5AP P20292 4/20 0.41
HTR2C P28335 5/20 0.40
HTR2B P41595 4/20 0.40
HTR2A P28223 3/20 0.40
PHF8 Q9UPP1 3/20 0.37
KDM2B Q8NHM5 2/20 0.37
PIM1 P11309 1/20 0.35
BRD4 O60885 1/20 0.35
TRPA1 O75762 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
XDH P47989 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
SCHEMBL1858975 0.80 TLR9 (0.45) FEN1ALOX5APBRD4XDH
SCHEMBL27778769 0.77 ALPL (0.38) FEN1ALOX5AP
SCHEMBL2091970 0.75 PARP15 (0.39) BRD4
SCHEMBL2089607 0.75 KMO (0.54) BRD4XDH
SCHEMBL2088475 0.75 PDK2 (0.41) FEN1ALOX5APTRPA1TRPM8TRPV1
SCHEMBL26770363 0.74 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL2090174 0.74 MAPT (0.47) BRD4XDH
SCHEMBL1854515 0.72 XDH (0.45) XDH
SCHEMBL24170303 0.70 HTR2C (0.44) HTR2CHTR2BHTR2A
SCHEMBL26770383 0.70 HTR2A (0.44) HTR2CHTR2BHTR2A

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 FEN1 4816/4885ALOX5AP 1256/4885HTR2C 418/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 FEN1 4759/4885ALOX5AP 1990/4885HTR2C 307/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 FEN1 4745/4885ALOX5AP 1734/4885HTR2C 84/4885

“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.