SCHEMBL4850559

SCHEMBL4850559

Cc1ccc(N)cc1C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.66
ADRA1A P35348 4/20 0.66
ALDH1A1 P00352 3/20 0.42
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
OPRM1 P35372 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LTA4H P09960 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4852804 0.89 DRD2 (0.53) DRD2ADRA1AALDH1A1OPRM1MEN1
SCHEMBL4854854 0.88 DRD2 (0.61) DRD2ADRA1AALDH1A1KCNH2MCHR1
SCHEMBL4848028 0.85 DRD2 (0.54) DRD2ADRA1AALDH1A1KCNH2MCHR1
SCHEMBL4618086 0.83 DRD2 (0.47) DRD2ADRA1AALDH1A1SIGMAR1MEN1
SCHEMBL4850462 0.82 DRD2 (0.54) DRD2ADRA1AALDH1A1KCNH2MCHR1
SCHEMBL4615328 0.82 DRD2 (0.46) DRD2ADRA1AALDH1A1SIGMAR1MEN1
SCHEMBL4617544 0.82 DRD2 (0.48) DRD2ADRA1AALDH1A1KCNH2SIGMAR1
SCHEMBL5660385 0.80 DRD2 (1.00) DRD2ADRA1A
SCHEMBL4856874 0.79 DRD2 (0.52) DRD2ADRA1AALDH1A1KCNH2MCHR1
SCHEMBL4617136 0.78 PTGIR (0.56) DRD2ADRA1AMCHR1SIGMAR1MEN1

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
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-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2006-04-13 US 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 (2 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 34/4885ALDH1A1 446/4885
US-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R DRD2 192/4885ADRA1A 38/4885ALDH1A1 444/4885

“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.