SCHEMBL1617294

SCHEMBL1617294

CN(C)/C=C1\CCCC(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL1617297 1.00 HTR2C (0.41) HTR2CHTR2AHTR2BHRH3KIF11
SCHEMBL1616102 0.88 TACR1 (0.36)
SCHEMBL1617137 0.81 MAP1LC3B (0.44) ALDH1A1
SCHEMBL1616876 0.76 MAP1LC3B (0.47) HTR2CHTR2AHTR2BHRH3ALDH1A1
SCHEMBL1616878 0.76 MAP1LC3B (0.47) HTR2CHTR2AHTR2BHRH3ALDH1A1
SCHEMBL1615803 0.75 SLC6A2 (0.42)
SCHEMBL1615801 0.75 SLC6A2 (0.42)
SCHEMBL1616291 0.75 MAP1LC3B (0.31)
SCHEMBL1617177 0.73 MAP1LC3B (0.47) HTR2CHTR2AHTR2BHRH3ALDH1A1
SCHEMBL1617176 0.73 MAP1LC3B (0.47) HTR2CHTR2AHTR2BHRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 HTR2C 1286/4885HTR2A 52/4885HTR2B 147/4885

“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.