SCHEMBL4475880

SCHEMBL4475880

O=C(C(O)C1CCCNC1)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.41
HDAC4 P56524 1/20 0.41
CHEK1 O14757 1/20 0.37
KCNH2 Q12809 1/20 0.37
AVPR1A P37288 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL3443301 0.80 HSD11B1 (0.36) HSD11B1HDAC4AVPR1AALDH1A1
SCHEMBL4477197 0.78 HDAC4 (0.38) HSD11B1HDAC4ALDH1A1
SCHEMBL31045722 0.72 HDAC4 (0.49) HSD11B1HDAC4CHEK1KCNH2AVPR1A
SCHEMBL31045917 0.72 HDAC4 (0.49) HSD11B1HDAC4CHEK1KCNH2AVPR1A
Hydrochloric Acid SCHEMBL4000831 0.72 HDAC4 (0.52) HSD11B1HDAC4CHEK1KCNH2AVPR1A
SCHEMBL15113219 0.70 HDAC4 (0.54) HSD11B1HDAC4ALDH1A1
SCHEMBL31045569 0.68 POLB (0.48) HSD11B1HDAC4CHEK1KCNH2AVPR1A
SCHEMBL28763224 0.68 HSD11B1 (0.48) HSD11B1HDAC4
SCHEMBL7604082 0.68 HSD11B1 (0.35) HSD11B1CHEK1KCNH2
SCHEMBL10897804 0.67 HDAC4 (0.51) HSD11B1HDAC4ALDH1A1

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 HSD11B1 1871/4885HDAC4 3356/4885CHEK1 3691/4885
US-20020123499-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A HSD11B1 1871/4885HDAC4 3356/4885CHEK1 3691/4885
US-20040254195-A1 Piperidine-piperazine ligands for neurotransmitter receptors HTR5A, OPRL1, HTR2A HSD11B1 1871/4885HDAC4 3356/4885CHEK1 3691/4885

“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.