SCHEMBL3963463

SCHEMBL3963463

NC(=O)CC1CCC(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
ADRB2 P07550 1/20 0.47
HTR7 P34969 2/20 0.44
HTR2A P28223 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CCR3 P51677 3/20 0.43
HRH1 P35367 2/20 0.43
OPRK1 P41145 1/20 0.43
ADRA1B P35368 1/20 0.43
SSTR5 P35346 1/20 0.43

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
SCHEMBL3969152 0.88 NAMPT (0.48) NAMPTADRB2HTR7HTR2APLA2G1B
SCHEMBL14715680 0.88 NAMPT (0.48) NAMPTADRB2HTR7HTR2APLA2G1B
SCHEMBL3959408 0.85 EPHX2 (0.50) NAMPTHTR2A
SCHEMBL3964470 0.85 CCR3 (0.45) NAMPTCCR3HRH1OPRK1
SCHEMBL3964447 0.84 GRM2 (0.44) CCR3HRH1
SCHEMBL3067858 0.84 HTR7 (0.46) NAMPTADRB2HTR7HTR2AADRA1B
SCHEMBL3067860 0.84 HTR7 (0.46) NAMPTADRB2HTR7HTR2AADRA1B
Trifluoroacetic Acid SCHEMBL3091028 0.83 HRH1 (0.46) NAMPTADRB2HTR7HTR2APLA2G1B
Trifluoroacetic Acid SCHEMBL3091025 0.83 HRH1 (0.46) NAMPTADRB2HTR7HTR2APLA2G1B
SCHEMBL3962626 0.83 HRH1 (0.46) CCR3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101535258-B ether derivatives dual modulators of the 5HT2A and D3 receptors HOFFMANN LA ROCHE 2012-12-05 CN claimed
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP claimed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO claimed
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
CN-101535258-B ether derivatives dual modulators of the 5HT2A and D3 receptors HOFFMANN LA ROCHE 2012-12-05 CN disclosed
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 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-20080103174-A1 ETHER DERIVATIVES GABRE, BDNF, ADH1A NAMPT 3982/4885ADRB2 436/4885HTR7 1123/4885

“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.