SCHEMBL4856174

SCHEMBL4856174

Cc1ccccc1C1CCN(Cc2ccc(Oc3cc(F)c(F)cc3F)cc2)CC1.N=C=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.49
ADRA1A P35348 3/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.43
OPRM1 P35372 1/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 1/20 0.38
SCN7A Q01118 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DRD4 P21917 1/20 0.37
LTA4H P09960 1/20 0.37
CCR3 P51677 1/20 0.37
CHRM4 P08173 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
SCHEMBL4856165 0.82 DRD2 (0.51) DRD2ADRA1AMEN1KMT2AATM
SCHEMBL4852804 0.81 DRD2 (0.53) DRD2ADRA1AMEN1KMT2AATM
SCHEMBL4856693 0.79 DRD2 (0.49) DRD2ADRA1AMEN1KMT2AATM
SCHEMBL4852792 0.77 DRD2 (0.43) DRD2ADRA1AMEN1KMT2AATM
SCHEMBL4852736 0.76 DRD2 (0.60) DRD2ADRA1AACHELTA4H
SCHEMBL4854957 0.75 DRD2 (0.64) DRD2ADRA1ADRD4LTA4H
SCHEMBL4848389 0.75 DRD2 (0.43) DRD2ADRA1AMEN1KMT2AATM
SCHEMBL4853485 0.75 DRD2 (0.63) DRD2ADRA1AALDH1A1DRD4LTA4H
Hydrochloric Acid SCHEMBL4855743 0.75 DRD2 (0.63) DRD2ADRA1ADRD4LTA4H
Hydrochloric Acid SCHEMBL4847772 0.74 DRD2 (0.46) DRD2ADRA1AMEN1KMT2AATM

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-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 34/4885MEN1 1234/4885
US-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R DRD2 192/4885ADRA1A 38/4885MEN1 1144/4885

“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.