SCHEMBL3091032

SCHEMBL3091032

O=C(ONC1CCC(CCN2CCC(Oc3ccc(F)cc3)CC2)CC1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
EPHX2 P34913 6/20 0.44
ADRB2 P07550 1/20 0.43
CCR3 P51677 2/20 0.42
HRH1 P35367 1/20 0.42
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL27900170 0.83 EPHX2 (0.51) NAMPTEPHX2HTR2A
SCHEMBL3959408 0.82 EPHX2 (0.50) NAMPTEPHX2HTR2A
SCHEMBL3088045 0.82 DRD3 (0.55) NAMPTEPHX2HTR2A
SCHEMBL3079841 0.82 DRD3 (0.55) NAMPTEPHX2HTR2A
SCHEMBL3087492 0.81 DRD3 (0.51) NAMPTEPHX2HTR2A
Cyclopropane SCHEMBL14715705 0.81 EPHX2 (0.55) NAMPTEPHX2ADRB2
SCHEMBL3074454 0.81 DRD2 (0.56) NAMPTEPHX2HTR2A
SCHEMBL3074452 0.81 DRD2 (0.56) NAMPTEPHX2HTR2A
Trifluoroacetic Acid SCHEMBL3091025 0.80 HRH1 (0.46) NAMPTADRB2CCR3HRH1HTR2A
Trifluoroacetic Acid SCHEMBL3091028 0.80 HRH1 (0.46) NAMPTADRB2CCR3HRH1HTR2A

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 3 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 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 3982/4885EPHX2 602/4885ADRB2 436/4885

“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.