SCHEMBL1786901

SCHEMBL1786901

CCN1CCc2ccc(C(=O)OCC3CCN(Cc4ccccc4)CC3)cc2CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.64
DRD4 P21917 3/20 0.64
ACHE P22303 12/20 0.54
BCHE P06276 2/20 0.54
MAOB P27338 1/20 0.51
CHRM3 P20309 1/20 0.50
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47

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 SCHEMBL1786844 0.86 ACHE (0.69) DRD2DRD4ACHEBCHEMAOB
SCHEMBL1789927 0.85 DRD2 (0.57) DRD2DRD4ACHEBCHEMAOB
SCHEMBL7846422 0.83 ACHE (0.76) ACHEBCHE
SCHEMBL1788422 0.82 HTR4 (0.47) DRD2DRD4ACHECHRM3CARM1
SCHEMBL1789864 0.82 HDAC3 (0.64) DRD2DRD4ACHEBCHE
SCHEMBL8549859 0.80 DRD2 (0.85) DRD2DRD4ACHEBCHEMAOB
Hydrochloric Acid SCHEMBL8555532 0.79 DRD2 (0.83) DRD2DRD4ACHEBCHEMAOB
SCHEMBL27657266 0.79 CARM1 (0.70) DRD2DRD4ACHEBCHEMAOB
Hydrochloric Acid SCHEMBL7227658 0.78 ACHE (0.66) ACHE
SCHEMBL7846382 0.77 ACHE (0.84) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
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
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
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 DRD2 79/4885DRD4 243/4885ACHE 624/4885

“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.