SCHEMBL4480719

SCHEMBL4480719

O=C(N1CCCC(CN2CCN(c3ccc(F)cc3)CC2)C1)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.50
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4477142 0.87 HSD11B1 (0.56) HSD11B1MEN1KMT2A
SCHEMBL4481657 0.86 HSD11B1 (0.48) HSD11B1
SCHEMBL4482583 0.85 HSD11B1 (0.53) HSD11B1
SCHEMBL4487563 0.84 HSD11B1 (0.56) HSD11B1LMNA
SCHEMBL4481410 0.83 HSD11B1 (0.55) HSD11B1LMNA
SCHEMBL13932980 0.81 HSD11B1 (0.56) HSD11B1DRD2
SCHEMBL13932979 0.81 HSD11B1 (0.56) HSD11B1DRD2
SCHEMBL4490404 0.81 DRD2 (0.58) HSD11B1ALDH1A1LMNADRD2DRD4
SCHEMBL4479630 0.81 HSD11B1 (0.48) HSD11B1DRD2
SCHEMBL3443484 0.80 HSD11B1 (0.53) HSD11B1

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 HSD11B1 1871/4885ALDH1A1 888/4885LMNA 1620/4885
US-20020123499-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A HSD11B1 1871/4885ALDH1A1 888/4885LMNA 1620/4885
US-20040254195-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A HSD11B1 1871/4885ALDH1A1 888/4885LMNA 1620/4885

“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.