SCHEMBL4477197

SCHEMBL4477197

CS(=O)(=O)OC(C(=O)C1(c2ccc(Cl)cc2)CCCC1)C1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
HSD11B1 P28845 3/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.35
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3443301 0.98 HSD11B1 (0.36) HDAC4HSD11B1LMNAMAPTALDH1A1
SCHEMBL4475880 0.78 HSD11B1 (0.41) HDAC4HSD11B1ALDH1A1
SCHEMBL4479313 0.70 SLC6A4 (0.40)
Hydrochloric Acid SCHEMBL4000831 0.68 HDAC4 (0.52) HDAC4HSD11B1ALDH1A1
SCHEMBL31045917 0.66 HDAC4 (0.49) HDAC4HSD11B1
SCHEMBL31045722 0.66 HDAC4 (0.49) HDAC4HSD11B1
SCHEMBL10897804 0.64 HDAC4 (0.51) HDAC4HSD11B1LMNAMAPTALDH1A1
SCHEMBL15113219 0.64 HDAC4 (0.54) HDAC4HSD11B1LMNAMAPTALDH1A1
SCHEMBL3298961 0.63 SLC6A4 (0.38)
SCHEMBL3301706 0.63 SLC6A4 (0.38)

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 HDAC4 3356/4885HSD11B1 1871/4885LMNA 1620/4885
US-20020123499-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A HDAC4 3356/4885HSD11B1 1871/4885LMNA 1620/4885
US-20040254195-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A HDAC4 3356/4885HSD11B1 1871/4885LMNA 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.