SCHEMBL2196127

SCHEMBL2196127

O=C(O)CC1CNCCNCCNCC[N]1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.44
GABRB2 P47870 6/20 0.44
GABRA1 P14867 5/20 0.44
GABRR1 P24046 5/20 0.44
GABRA4 P48169 5/20 0.44
SLC6A12 P48065 4/20 0.44
SLC6A13 Q9NSD5 4/20 0.44
SLC6A1 P30531 3/20 0.44
SLC6A11 P48066 3/20 0.44

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
SCHEMBL715379 0.96 GABRA5 (0.47) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL2920078 0.85 GABRA5 (0.44) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL2918420 0.83 GABRA5 (0.46) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL946968 0.79 SLC6A1 (0.33) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL2914156 0.78 SLC6A1 (0.36) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL2911229 0.76 SLC6A1 (0.32) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL1233220 0.76
SCHEMBL717330 0.75 SLC6A1 (0.31) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL2650750 0.75 TSHR (0.33) GABRA5GABRB2GABRA1GABRR1GABRA4
SCHEMBL11524373 0.74 SLC6A1 (0.37) GABRA5GABRB2GABRA1GABRR1GABRA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682153-B2 Polymer conjugates of therapeutic peptides NEKTAR THERAPEUTICS (US) 2017-06-20 US disclosed
US-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2016-01-28 US disclosed
US-9173951-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2015-11-03 US disclosed
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2015-02-19 US disclosed
US-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 US disclosed
EP-1594851-A1 TRIMERIC MACROCYCLICALLY SUBSTITUTED BENZENE DERIVATIVES Schering Aktiengesellschaft (DE) 2005-11-16 EP disclosed
WO-2004074267-A1 TRIMERIC MACROCYCLICALLY SUBSTITUTED BENZENE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-02 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 (3 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-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP GABRA5 1508/4885GABRB2 2948/4885GABRA1 2184/4885
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST GABRA5 4284/4885GABRB2 4157/4885GABRA1 4163/4885
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST GABRA5 4284/4885GABRB2 4157/4885GABRA1 4163/4885

“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.