SCHEMBL7980463

SCHEMBL7980463

BrCCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.68
SLC6A4 P31645 8/20 0.62
CHRM2 P08172 6/20 0.62
CHRM1 P11229 6/20 0.62
DRD2 P14416 6/20 0.62
CHRM3 P20309 6/20 0.62
DRD3 P35462 6/20 0.62
CHRM4 P08173 5/20 0.62
CHRM5 P08912 5/20 0.62
SLC6A2 P23975 4/20 0.62
HRH1 P35367 4/20 0.62
CYP3A4 P08684 4/20 0.62
ADRA1A P35348 4/20 0.62
DRD4 P21917 4/20 0.62
SLC22A1 O15245 3/20 0.62
CYP2D6 P10635 3/20 0.62
ADRA2B P18089 3/20 0.62
ADRA2C P18825 3/20 0.62
HTR2C P28335 3/20 0.62
OPRK1 P41145 3/20 0.62

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
SCHEMBL8831796 0.94 HTR2A (0.66) HTR2ASLC6A4CHRM2CHRM1DRD2
SCHEMBL7981739 0.88 HTR2A (0.61) HTR2ASLC6A4CHRM2CHRM1DRD2
SCHEMBL5389753 0.88 DRD2 (0.62) HTR2ACHRM2CHRM1DRD2CHRM3
SCHEMBL13051501 0.88 HTR2A (0.78) HTR2ASLC6A4CHRM2CHRM1DRD2
SCHEMBL17298325 0.83 HTR2A (0.44) HTR2ASLC6A4CHRM2CHRM1DRD2
SCHEMBL1764224 0.83 DRD2 (0.60) CHRM2CHRM1DRD2CHRM3DRD3
SCHEMBL5384961 0.82 DRD2 (0.59) CHRM2CHRM1DRD2CHRM3DRD3
SCHEMBL285431 0.81 HTR2A (0.50) HTR2ASLC6A4CHRM2CHRM1DRD2
SCHEMBL17298327 0.81 PIM1 (0.46) HTR2ASLC6A4CHRM2CHRM1DRD2
SCHEMBL6961973 0.81 HTR2A (0.68) HTR2ASLC6A4CHRM2CHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725431-B2 Oligomer-tricyclic conjugates NEKTAR THERAPEUTICS (US) 2017-08-08 US disclosed
US-9725431-B2 Oligomer-tricyclic conjugates NEKTAR THERAPEUTICS (US) 2017-08-08 US disclosed
EP-2222342-B1 OLIGOMER-TRICYCLIC CONJUGATES NEKTAR THERAPEUTICS (US) 2014-03-26 EP disclosed
US-8569380-B2 Oligomer-tricyclic conjugates NEKTAR THERAPEUTICS (US) 2013-10-29 US disclosed
US-8569380-B2 Oligomer-tricyclic conjugates NEKTAR THERAPEUTICS (US) 2013-10-29 US disclosed
US-20100298296-A1 Oligomer-Tricyclic Conjugates NEKTAR THERAPEUTICS (US) 2010-11-25 US disclosed
US-20100298296-A1 Oligomer-Tricyclic Conjugates NEKTAR THERAPEUTICS (US) 2010-11-25 US disclosed
WO-2009073154-A1 OLIGOMER-TRICYCLIC CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-06-11 WO disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP 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-20100298296-A1 Oligomer-Tricyclic Conjugates ABCG2, SLCO1B3, SLC43A1 HTR2A 1525/4885SLC6A4 297/4885CHRM2 1053/4885

“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.