SCHEMBL4854358

SCHEMBL4854358

Nc1cncc(C2CCN(Cc3ccc(Oc4cc(F)c(F)cc4F)cc3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
ADRA1A P35348 3/20 0.42
CCR5 P51681 4/20 0.40
OPRM1 P35372 3/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IL6 P05231 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL4854417 0.89 DRD2 (0.53) DRD2ADRA1AMEN1KMT2A
SCHEMBL4848389 0.81 DRD2 (0.43) DRD2ADRA1ACCR5OPRM1OPRD1
SCHEMBL4852792 0.79 DRD2 (0.43) DRD2ADRA1AOPRM1OPRD1OPRK1
SCHEMBL4848646 0.78 DRD2 (0.42) DRD2ADRA1AOPRM1OPRD1OPRK1
SCHEMBL4852804 0.78 DRD2 (0.53) DRD2ADRA1ACCR5OPRM1OPRD1
SCHEMBL4856693 0.76 DRD2 (0.49) DRD2ADRA1AOPRM1OPRD1OPRK1
SCHEMBL4848028 0.70 DRD2 (0.54) DRD2ADRA1AOPRM1
SCHEMBL4856174 0.69 DRD2 (0.49) DRD2ADRA1AOPRM1MEN1KMT2A
SCHEMBL28514024 0.69 SIGMAR1 (0.55)
SCHEMBL29960102 0.69 SIGMAR1 (0.55)

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 34/4885CCR5 195/4885

“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.