SCHEMBL4847362

SCHEMBL4847362

Cc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1C1CCN(Cc2ccc(Oc3cc(F)c(F)cc3F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.58
ADRA1A P35348 3/20 0.58
CCR5 P51681 6/20 0.42
MGLL Q99685 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4852736 0.82 DRD2 (0.60) DRD2ADRA1ASMN1; SMN2
SCHEMBL4854957 0.82 DRD2 (0.64) DRD2ADRA1ASIGMAR1
SCHEMBL4853485 0.81 DRD2 (0.63) DRD2ADRA1ASIGMAR1
Hydrochloric Acid SCHEMBL4855743 0.81 DRD2 (0.63) DRD2ADRA1ASIGMAR1
Hydrochloric Acid SCHEMBL4854584 0.81 DRD2 (0.62) DRD2ADRA1ASIGMAR1
Hydrochloric Acid SCHEMBL4854617 0.81 DRD2 (0.62) DRD2ADRA1ASIGMAR1
SCHEMBL4847512 0.81 DRD2 (0.71) DRD2ADRA1A
SCHEMBL4856188 0.80 DRD2 (0.66) DRD2ADRA1ASIGMAR1
Hydrochloric Acid SCHEMBL4854154 0.80 DRD2 (0.61) DRD2ADRA1A
Hydrochloric Acid SCHEMBL4854158 0.80 DRD2 (0.61) DRD2ADRA1A

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 34/4885CCR5 195/4885
US-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R DRD2 192/4885ADRA1A 38/4885CCR5 185/4885

“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.