SCHEMBL4854417

SCHEMBL4854417

Nc1cncc(C2CCN(Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.53
ADRA1A P35348 4/20 0.53
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD4 P21917 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4854358 0.89 DRD2 (0.42) DRD2ADRA1AMEN1KMT2A
SCHEMBL4848028 0.81 DRD2 (0.54) DRD2ADRA1AKCNH2MCHR1DRD4
SCHEMBL4850462 0.78 DRD2 (0.54) DRD2ADRA1AKCNH2MCHR1MEN1
SCHEMBL4850559 0.77 DRD2 (0.66) DRD2ADRA1AKCNH2MCHR1MEN1
SCHEMBL4856874 0.77 DRD2 (0.52) DRD2ADRA1AKCNH2MCHR1SIGMAR1
SCHEMBL4854854 0.75 DRD2 (0.61) DRD2ADRA1AKCNH2MCHR1MEN1
SCHEMBL4848389 0.70 DRD2 (0.43) DRD2ADRA1AMEN1KMT2A
SCHEMBL29960102 0.70 SIGMAR1 (0.55) SIGMAR1
SCHEMBL28514024 0.70 SIGMAR1 (0.55) SIGMAR1
SCHEMBL5661648 0.69 DRD2 (1.00) DRD2ADRA1AMCHR1

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 34/4885KCNH2 2915/4885

“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.