SCHEMBL7948580

SCHEMBL7948580

COC(CCc1ccn(C)n1)c1ccc2c(c1)CCNCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HRH3 Q9Y5N1 5/20 0.34
HTR2C P28335 2/20 0.33
HRH1 P35367 1/20 0.33
HTR6 P50406 2/20 0.32
JAK2 O60674 3/20 0.32
JAK3 P52333 2/20 0.32
PTK2 Q05397 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD2 P14416 1/20 0.31
SYK P43405 4/20 0.31
LCK P06239 1/20 0.31
KDR P35968 1/20 0.31
GSK3B P49841 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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 SCHEMBL1791104 0.99 DDB1 (0.34) DDB1CRBNHRH3HTR2CHRH1
SCHEMBL12608369 0.88 DRD2 (0.36) DDB1CRBNHRH3DRD2
SCHEMBL7952648 0.85 HRH3 (0.34) DDB1CRBNHRH3HTR2CHRH1
Hydrochloric Acid SCHEMBL1787112 0.84 HRH3 (0.33) DDB1CRBNHRH3HTR2CHRH1
SCHEMBL7945039 0.81 HRH3 (0.40) HRH3
Hydrochloric Acid SCHEMBL1789545 0.80 HRH3 (0.39) HRH3
Hydrochloric Acid SCHEMBL1789547 0.80 DRD2 (0.32) DDB1CRBNDRD2
SCHEMBL1789563 0.78 ESR2 (0.43) JAK2JAK3PTK2
SCHEMBL12608370 0.73 DRD2 (0.37) DDB1CRBNHRH3DRD2
SCHEMBL1790869 0.67 DRD2 (0.33) DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 DDB1 3789/4885CRBN 694/4885HRH3 2/4885

“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.