SCHEMBL4845993

SCHEMBL4845993

CC(=O)N(CC(=O)Nc1ccc(C)c(C2CCN(Cc3ccc(Oc4cc(F)c(F)cc4F)cc3)CC2)c1)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.57
ADRA1A P35348 4/20 0.57
LTA4H P09960 3/20 0.41
DRD4 P21917 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MCHR1 Q99705 1/20 0.37
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36
P2RY1 P47900 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
Hydrochloric Acid SCHEMBL4854584 0.88 DRD2 (0.62) DRD2ADRA1ALTA4HDRD4TMEM97
SCHEMBL4845998 0.87 DRD2 (0.57) DRD2ADRA1ALTA4HDRD4TMEM97
SCHEMBL4854957 0.84 DRD2 (0.64) DRD2ADRA1ALTA4HDRD4TMEM97
SCHEMBL4850046 0.84 DRD2 (0.61) DRD2ADRA1ALTA4HDRD4TMEM97
SCHEMBL4853485 0.84 DRD2 (0.63) DRD2ADRA1ALTA4HDRD4TMEM97
Hydrochloric Acid SCHEMBL4855743 0.84 DRD2 (0.63) DRD2ADRA1ALTA4HDRD4TMEM97
SCHEMBL4617015 0.84 DRD2 (0.48) DRD2ADRA1ALTA4HSIGMAR1RAB9A
Hydrochloric Acid SCHEMBL4855721 0.83 DRD2 (0.60) DRD2ADRA1ALTA4HDRD4TMEM97
Hydrochloric Acid SCHEMBL4854617 0.83 DRD2 (0.62) DRD2ADRA1ALTA4HDRD4TMEM97
SCHEMBL4856188 0.82 DRD2 (0.66) DRD2ADRA1ADRD4TMEM97SIGMAR1

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
US-7446204-B2 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2008-11-04 US disclosed
US-20060079524-A1 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S 2006-04-13 US disclosed
US-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S (DK) 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 34/4885LTA4H 1531/4885
US-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R DRD2 192/4885ADRA1A 38/4885LTA4H 1718/4885

“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.