SCHEMBL13636212

SCHEMBL13636212

CCC(CC)N1CCN(C(=O)C(O)CC(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.67
SLC6A3 Q01959 2/20 0.67
KMO O15229 2/20 0.53
HRH3 Q9Y5N1 10/20 0.50
SLC6A2 P23975 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

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
Hydrochloric Acid SCHEMBL4561027 0.99 SLC6A4 (0.65) SLC6A4SLC6A3KMOHRH3SLC6A2
SCHEMBL4932960 0.80 SLC6A4 (1.00) SLC6A4SLC6A3KMOHRH3SLC6A2
SCHEMBL14190994 0.79 HRH3 (0.71) SLC6A4SLC6A3HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL4384101 0.78 HRH3 (0.71) SLC6A4SLC6A3HRH3MEN1KMT2A
SCHEMBL4377267 0.75 SLC6A4 (0.55) SLC6A4SLC6A3HRH3SLC6A2MEN1
SCHEMBL4377271 0.75 SLC6A4 (0.55) SLC6A4SLC6A3HRH3SLC6A2MEN1
Hydrochloric Acid SCHEMBL4375762 0.74 SLC6A4 (0.54) SLC6A4SLC6A3HRH3SLC6A2MEN1
Hydrochloric Acid SCHEMBL4378691 0.74 SLC6A4 (0.54) SLC6A4SLC6A3HRH3SLC6A2MEN1
SCHEMBL4383222 0.72 HRH3 (0.64) SLC6A4SLC6A3HRH3KMT2A
Hydrochloric Acid SCHEMBL4378288 0.71 HRH3 (0.65) HRH3KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 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 (1 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 SLC6A4 858/4885SLC6A3 652/4885KMO 926/4885

“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.