SCHEMBL1961099

SCHEMBL1961099

c1ccc2c(c1)CCN(CC1CCCCC1)CC2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.61
DRD2 P14416 2/20 0.56
CHRM5 P08912 1/20 0.55
ADRA2C P18825 1/20 0.55
OPRM1 P35372 2/20 0.54
OPRL1 P41146 2/20 0.54
OPRK1 P41145 1/20 0.54
HRH3 Q9Y5N1 3/20 0.53
DRD1 P21728 1/20 0.51
DRD5 P21918 1/20 0.51
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
CYP2D6 P10635 1/20 0.50
HRH1 P35367 1/20 0.50

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
SCHEMBL2437081 0.91 PRMT5 (0.56) SIGMAR1DRD2HRH3PRMT5WDR77
SCHEMBL4924953 0.90 DRD1 (0.58) SIGMAR1DRD2HRH3DRD1DRD5
Hydrochloric Acid SCHEMBL14974971 0.90 PRMT5 (0.55) SIGMAR1DRD2HRH3PRMT5WDR77
SCHEMBL38653251 0.89 PRMT5 (0.54) SIGMAR1DRD2HRH3PRMT5WDR77
Hydrochloric Acid SCHEMBL11466311 0.89 DRD1 (0.57) SIGMAR1DRD2HRH3DRD1DRD5
SCHEMBL38653916 0.81 DRD2 (0.59) DRD2HRH3DRD1DRD5PRMT5
SCHEMBL10733843 0.80 SIGMAR1 (0.52) SIGMAR1DRD2OPRM1OPRL1OPRK1
SCHEMBL1868503 0.80 OPRL1 (0.60) SIGMAR1DRD2OPRM1OPRL1OPRK1
SCHEMBL23004926 0.78 ACHE (0.68) DRD2PRMT5WDR77
SCHEMBL11455795 0.78 HRH3 (0.54) SIGMAR1DRD2OPRL1OPRK1HRH3

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
US-8207160-B2 Tetrahydrobenzazepines and their use in he modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2012-06-26 US disclosed
EP-1694334-B1 TETRAHYDROBENZAZEPINES AND THEIR USE IN THE MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-10-19 EP disclosed
EP-2332543-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-06-15 EP disclosed
EP-1694334-A1 TETRAHYDROBENZAZEPINES AND THEIR USE IN THE MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2006-08-30 EP disclosed
WO-2005058328-A1 TETRAHYDROBENZAZEPINES AND THEIR USE IN THE MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2005-06-30 WO disclosed
US-20050137186-A1 Tetrahydrobenzazepines and their use ABBOTT GMBH & CO. KG. 2005-06-23 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-20050137186-A1 Tetrahydrobenzazepines and their use DRD3, ADRB3, AVPR1B SIGMAR1 124/4885DRD2 9/4885CHRM5 205/4885

“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.