SCHEMBL4490404

SCHEMBL4490404

COc1ccccc1N1CCN(CC2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
ADRA1D P25100 9/20 0.52
ADRA1A P35348 9/20 0.52
ADRA1B P35368 9/20 0.52
HTR1A P08908 8/20 0.52
HSD11B1 P28845 6/20 0.51
DRD4 P21917 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL13919815 0.98 DRD2 (0.60) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL13919809 0.97 DRD2 (0.57) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL4484653 0.91 HSD11B1 (0.48) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL4487563 0.89 HSD11B1 (0.56) HSD11B1LMNA
SCHEMBL4479630 0.89 HSD11B1 (0.48) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL13932979 0.89 HSD11B1 (0.56) DRD2DRD3HSD11B1
SCHEMBL13932980 0.89 HSD11B1 (0.56) DRD2DRD3HSD11B1
SCHEMBL4481410 0.88 HSD11B1 (0.55) HSD11B1LMNA
SCHEMBL4482583 0.87 HSD11B1 (0.53) HSD11B1
SCHEMBL13932981 0.85 HSD11B1 (0.52) DRD2DRD3HSD11B1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511141-B2 Piperidine-piperazine ligands for neurotransmitter receptors SEPRACOR, INC. (US) 2009-03-31 US claimed
US-7511141-B2 Piperidine-piperazine ligands for neurotransmitter receptors SEPRACOR, INC. (US) 2009-03-31 US disclosed
US-7511141-B2 Piperidine-piperazine ligands for neurotransmitter receptors SEPRACOR, INC. (US) 2009-03-31 US disclosed
US-7511141-B2 Piperidine-piperazine ligands for neurotransmitter receptors SEPRACOR, INC. (US) 2009-03-31 US disclosed
US-20060063776-A1 Piperidine-piperazine ligands for neurotransmitter receptors PERSONS PAUL E 2006-03-23 US disclosed
US-6936614-B2 Piperidine-piperazine ligands for neurotransmitter receptors SEPRACOR INC. (US) 2005-08-30 US disclosed
US-20040254195-A1 Piperidine-piperazine ligands for neurotransmitter receptors PERSONS PAUL E (US) 2004-12-16 US disclosed
US-6713479-B2 LIGANDS FOR DOPAMINE, SEROTONIN OR NOREPINEPHRINE RECEPTORS OR TRANSPORTERS SEPRACOR INC. 2004-03-30 US disclosed
US-20020123499-A1 Piperidine-piperazine ligands for neurotransmitter receptors SEPRACOR INC. 2002-09-05 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 (3 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-20060063776-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A DRD2 17/4885DRD3 73/4885ADRA1D 63/4885
US-20020123499-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A DRD2 17/4885DRD3 73/4885ADRA1D 63/4885
US-20040254195-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A DRD2 17/4885DRD3 73/4885ADRA1D 63/4885

“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.