SCHEMBL4375991

SCHEMBL4375991

CCCN1CCN(C=CC(=O)c2ccccc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.44
DRD2 P14416 3/20 0.44
CHRM1 P11229 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4379001 0.86 MAOB (0.45) DRD2SIGMAR1SMN1; SMN2P2RX7MEN1
SCHEMBL4379112 0.85 P2RX7 (0.53) DRD2CHRM1CHRM5CHRM3SIGMAR1
SCHEMBL4375430 0.83 HRH3 (0.48) GPR52DRD2SLC6A4MEN1KMT2A
SCHEMBL4384007 0.81 ALDH1A1 (0.46) SIGMAR1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4377874 0.77 OGG1 (0.53) SMN1; SMN2P2RX7TP53ALDH1A1POLB
SCHEMBL4376217 0.77 MAPT (0.45) DRD2SMN1; SMN2MEN1KMT2ATP53
SCHEMBL4377900 0.76 HRH3 (0.52) GPR52DRD4SLC6A3MEN1KMT2A
SCHEMBL4383186 0.76 TSHR (0.45) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL4377310 0.76 RAB9A (0.60) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL4383715 0.76 HTT (0.43) GPR52DRD2HRH1SMN1; SMN2MEN1

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 GPR52 50/4885DRD2 175/4885CHRM1 279/4885

“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.