SCHEMBL4381900

SCHEMBL4381900

CCOc1ccc(Br)cc1C(=O)C=CN1CCN(C2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCN1 O60741 3/20 0.46
HCN4 Q9Y3Q4 3/20 0.46
AR P10275 1/20 0.44
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
CTNNB1 P35222 1/20 0.38

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
SCHEMBL4380837 0.99 AR (0.44) HCN1HCN4ARLMNAMAPK1
SCHEMBL2829282 0.92 AR (0.44) HCN1HCN4ARLMNAMAPK1
SCHEMBL2833290 0.91 AR (0.44) HCN1HCN4ARLMNAMAPK1
SCHEMBL4378980 0.81 AR (0.47) ARALDH1A1MAPTKMT2AMEN1
SCHEMBL4383151 0.80 AR (0.45) ARLMNAALDH1A1MAPTKMT2A
SCHEMBL4378240 0.78 AR (0.44) ARLMNAMAPK1ALDH1A1MAPT
SCHEMBL4381901 0.76 SMN1; SMN2 (0.46) HCN1HCN4ARLMNATSHR
SCHEMBL14190929 0.76 SMN1; SMN2 (0.46) HCN1HCN4ARLMNATSHR
SCHEMBL4381584 0.75 SMN1; SMN2 (0.47) ARLMNATSHRHTT
SCHEMBL13636007 0.75 SMN1; SMN2 (0.47) ARLMNATSHRHTT

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 4 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-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 HCN1 1152/4885HCN4 1577/4885AR 2418/4885

“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.