SCHEMBL4848646

SCHEMBL4848646

Nc1c(F)cc(F)c(C2CCN(Cc3ccc(Oc4cc(F)c(F)cc4F)cc3)CC2)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
ADRA1A P35348 3/20 0.42
IL6 P05231 3/20 0.37
TLR7 Q9NYK1 3/20 0.37
ACHE P22303 1/20 0.37
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL4856874 0.89 DRD2 (0.52) DRD2ADRA1AACHEALDH1A1
SCHEMBL4852792 0.81 DRD2 (0.43) DRD2ADRA1AIL6TLR7ACHE
SCHEMBL4856693 0.80 DRD2 (0.49) DRD2ADRA1AIL6TLR7ACHE
SCHEMBL4852804 0.80 DRD2 (0.53) DRD2ADRA1AIL6TLR7OPRM1
SCHEMBL4854358 0.78 DRD2 (0.42) DRD2ADRA1AIL6TLR7OPRM1
SCHEMBL4848389 0.78 DRD2 (0.43) DRD2ADRA1AIL6TLR7OPRM1
SCHEMBL4856174 0.74 DRD2 (0.49) DRD2ADRA1AACHEOPRM1MEN1
SCHEMBL4856165 0.72 DRD2 (0.51) DRD2ADRA1AIL6TLR7OPRM1
SCHEMBL4850462 0.70 DRD2 (0.54) DRD2ADRA1AOPRM1MEN1KMT2A
SCHEMBL4854957 0.69 DRD2 (0.64) DRD2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446204-B2 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2008-11-04 US disclosed
EP-1804796-A2 AMINO SUBSTITUTED ARYLOXYBENZYLPIPERIDINE DERIVATIVES H.Lundbeck A/S (DK) 2007-07-11 EP disclosed
WO-2006041636-A2 AMINO SUBSTITUTED ARYLOXYBENZYLPIPERIDINE DERIVATIVES H.LUNDBECK A/S (DK) 2006-04-20 WO disclosed
US-20060079524-A1 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S 2006-04-13 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-20060079524-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R DRD2 198/4885ADRA1A 34/4885IL6 1511/4885

“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.