SCHEMBL4479313

SCHEMBL4479313

CS(=O)(=O)OC(C1CCCNC1)C(c1ccc(Cl)cc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.40
SLC6A2 P23975 7/20 0.40
SLC6A3 Q01959 7/20 0.40
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 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
SCHEMBL3444695 0.89 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3FPR2PROKR1
SCHEMBL3441416 0.86 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3FPR2PROKR1
SCHEMBL3444531 0.70 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL15863023 0.70 FPR2 (0.44) SLC6A4SLC6A2SLC6A3FPR2PROKR1
SCHEMBL4477197 0.70 HDAC4 (0.38)
SCHEMBL3443301 0.70 HSD11B1 (0.36)
SCHEMBL2069658 0.68 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3
SCHEMBL4731943 0.66 ADRB2 (0.35) SLC6A4
SCHEMBL5871080 0.66 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL8217306 0.63 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3

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 7 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 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
WO-2002069973-A1 PIPERIDINE-PIPERAZINE LIGAND FOR NEUROTRANSMITTER RECEPTORS SEPRACOR, INC. (US) 2002-09-12 WO 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 SLC6A4 26/4885SLC6A2 7/4885SLC6A3 15/4885
US-20020123499-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A SLC6A4 26/4885SLC6A2 7/4885SLC6A3 15/4885
US-20040254195-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A SLC6A4 26/4885SLC6A2 7/4885SLC6A3 15/4885

“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.