SCHEMBL4377283

SCHEMBL4377283

CCCN1CCN(C=CC(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
DRD3 P35462 1/20 0.48
CYP1B1 Q16678 1/20 0.47
HTR1A P08908 3/20 0.46
SLC6A4 P31645 2/20 0.46
DRD2 P14416 1/20 0.46
GPR52 Q9Y2T5 1/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KDM4E B2RXH2 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL4380698 0.85 DRD2 (0.51) DRD3DRD2MEN1KMT2AALDH1A1
SCHEMBL4382095 0.82 KDM2B (0.50) SLC6A4HPGDTSHRMEN1KMT2A
SCHEMBL4376217 0.82 MAPT (0.45) CYP1B1DRD2HPGDPOLBMEN1
SCHEMBL4376039 0.81 KDM2B (0.51) DRD3DRD2HPGDPOLBMEN1
SCHEMBL4377310 0.81 RAB9A (0.60) CYP1B1HPGDPOLBMEN1KMT2A
SCHEMBL4383186 0.81 TSHR (0.45) HPGDTSHRPOLBMEN1KMT2A
SCHEMBL4375406 0.79 ALDH1A1 (0.49) DRD3DRD2HPGDPOLBMEN1
SCHEMBL4383715 0.78 HTT (0.43) DRD3CYP1B1DRD2GPR52HPGD
SCHEMBL4375430 0.78 HRH3 (0.48) HRH3DRD3SLC6A4DRD2GPR52
SCHEMBL4377341 0.77 ALDH1A1 (0.56) CYP1B1HTR1AHPGDKMT2AALDH1A1

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 HRH3 1/4885DRD3 232/4885CYP1B1 2288/4885

“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.