SCHEMBL3085000

SCHEMBL3085000

NC(=O)C1CCC(CCN2CCC(Oc3ccncc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.55
OPRK1 P41145 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
EPHX2 P34913 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2J2 P51589 2/20 0.40
LTA4H P09960 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3084998 1.00 NAMPT (0.55) NAMPTOPRK1HRH3EPHX2CYP2C9
SCHEMBL3969152 0.86 NAMPT (0.48) NAMPTOPRK1
SCHEMBL14715680 0.86 NAMPT (0.48) NAMPTOPRK1
SCHEMBL3085004 0.84 NAMPT (0.52) NAMPTHRH3LTA4H
SCHEMBL14715735 0.81 CCR3 (0.54)
SCHEMBL3965013 0.81 CCR3 (0.54)
SCHEMBL14715740 0.79 DRD2 (0.47) OPRK1NPSR1
SCHEMBL30775358 0.77 EPHX2 (0.46) NAMPTOPRK1HRH3EPHX2CYP2C9
SCHEMBL3959405 0.76 DRD2 (0.50) CHRM2
SCHEMBL14715706 0.76 DRD2 (0.50) CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP claimed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-7795437-B2 Ether derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-14 US 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 3982/4885OPRK1 412/4885HRH3 2521/4885

“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.