SCHEMBL4378980

SCHEMBL4378980

CCCN1CCN(C=CC(=O)c2cc(Br)ccc2OCC)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.47
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1B P28222 1/20 0.42
POLB P06746 2/20 0.41
DRD3 P35462 1/20 0.40
ACHE P22303 1/20 0.40
HTR4 Q13639 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
XDH P47989 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL4383151 0.87 AR (0.45) ARKDM4ETDP1POLBDRD3
SCHEMBL4380837 0.82 AR (0.44) ARCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4378240 0.81 AR (0.44) ARPOLBDRD3CYP3A4CYP2D6
SCHEMBL4381900 0.81 HCN1 (0.46) ARPOLBCYP3A4CYP2D6CYP2C9
SCHEMBL2833290 0.80 AR (0.44) ARHPGDSMN1; SMN2NPSR1RXFP1
SCHEMBL2829282 0.79 AR (0.44) ARHPGDSMN1; SMN2NPSR1RXFP1
SCHEMBL4377310 0.78 RAB9A (0.60) TDP1POLBCYP3A4CYP2D6CYP2C9
SCHEMBL4378984 0.74 GPR183 (0.55) ARKDM4ETDP1HTR1BPOLB
SCHEMBL14190909 0.74 GPR183 (0.55) ARKDM4ETDP1HTR1BPOLB
SCHEMBL5216873 0.74 DRD2 (0.44) ARKDM4EPOLBDRD3SMN1; SMN2

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 AR 2418/4885KDM4E 1567/4885TDP1 3908/4885

“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.