SCHEMBL4386127

SCHEMBL4386127

CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 1.00
HTT P42858 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.55

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 SCHEMBL4381864 0.99 HRH3 (1.00) HRH3HTTSMN1; SMN2POLBMAPT
SCHEMBL4378327 0.87 HRH3 (1.00) HRH3
SCHEMBL4378029 0.86 HRH3 (1.00) HRH3HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4376343 0.86 HRH3 (1.00) HRH3
Hydrochloric Acid SCHEMBL4379272 0.85 HRH3 (1.00) HRH3
SCHEMBL4375727 0.83 HRH3 (1.00) HRH3
Hydrochloric Acid SCHEMBL4378887 0.82 HRH3 (1.00) HRH3
SCHEMBL4376245 0.81 HRH3 (1.00) HRH3HTTSMN1; SMN2MAPTKMT2A
Hydrochloric Acid SCHEMBL4378956 0.81 HRH3 (1.00) HRH3HTTSMN1; SMN2MAPTKMT2A
SCHEMBL4380533 0.79 HRH3 (1.00) HRH3POLB

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 6 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 claimed
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 HRH3 1/4885HTT 360/4885SMN1; SMN2 2684/4885

“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.