SCHEMBL4477142

SCHEMBL4477142

O=C(N1CCCC(CN2CCN(c3cccc(Cl)c3)CC2)C1)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.56
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
CCR2 P41597 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL4480719 0.87 HSD11B1 (0.50) HSD11B1MEN1KMT2A
SCHEMBL4487563 0.86 HSD11B1 (0.56) HSD11B1
SCHEMBL4481410 0.85 HSD11B1 (0.55) HSD11B1
SCHEMBL4482583 0.83 HSD11B1 (0.53) HSD11B1
SCHEMBL13932980 0.83 HSD11B1 (0.56) HSD11B1
SCHEMBL13932979 0.83 HSD11B1 (0.56) HSD11B1
SCHEMBL4490404 0.81 DRD2 (0.58) HSD11B1HTR1A
SCHEMBL13932981 0.80 HSD11B1 (0.52) HSD11B1SIGMAR1
SCHEMBL13919815 0.79 DRD2 (0.60) HSD11B1HTR1A
SCHEMBL4484653 0.79 HSD11B1 (0.48) HSD11B1HTR1A

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 8 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-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 1871/4885MEN1 1403/4885TSHR 549/4885
US-20020123499-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A HSD11B1 1871/4885MEN1 1403/4885TSHR 549/4885
US-20040254195-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A HSD11B1 1871/4885MEN1 1403/4885TSHR 549/4885

“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.