SCHEMBL943033

SCHEMBL943033

C1CCC2NCCNCC2C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTR2C P28335 1/20 0.32
CCR5 P51681 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL17733612 0.98 EPAS1 (0.32) EPAS1ALDH1A1HTR2C
SCHEMBL10149928 0.98 EPAS1 (0.32) EPAS1ALDH1A1HTR2C
SCHEMBL6512104 0.95 HTR2C (0.35) HTR2CCCR5
SCHEMBL20121932 0.87 CXCR4 (0.31) EPAS1ALDH1A1
SCHEMBL5680966 0.86 EPAS1 (0.35) EPAS1
SCHEMBL20256032 0.86 EPAS1 (0.35) EPAS1ALDH1A1HTR2C
SCHEMBL13351747 0.86 MBTD1 (0.36) EPAS1
SCHEMBL4129266 0.86 MBTD1 (0.36) EPAS1
SCHEMBL16877663 0.85
SCHEMBL433801 0.84 SLC6A1 (0.34) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11529359-B2 Use of GABAA receptor modulators for treatment of itch UNIVERSITAT ZURICH (CH) 2022-12-20 US disclosed
US-20220152037-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF PAIN NEUROCYCLE THERAPEUTICS, INC. 2022-05-19 US disclosed
US-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2022-02-10 US disclosed
US-20210100814-A1 Use of GABAA receptor modulators for treatment of itch UNIVERSITAT ZURICH (CH) 2021-04-08 US disclosed
US-20210015933-A1 BIOACTIVE CARBOXYLIC ACID TYPE COMPOUND-POLYMER CONJUGATE, AND METHOD FOR MANUFACTURING THE SAME SEIKAGAKU CORPORATION (JP) 2021-01-21 US disclosed
US-10786513-B2 Use of GABAA receptor modulators for treatment of itch UNIVERSITAT ZURICH (CH) 2020-09-29 US disclosed
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2020-05-07 US disclosed
WO-2020067507-A1 PRIMARY AMINE COMPOUND- OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2020-04-02 WO disclosed
WO-2019189876-A1 (CARBOXYLIC ACID-TYPE COMPOUND)-POLYMER CONJUGATE HAVING BIOLOGICAL ACTIVITY, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2019-10-03 WO disclosed
WO-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO disclosed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO disclosed
US-20050171094-A1 Pyrrolopyrimidine derivatives TEIJIN, LIMITED (JP) 2005-08-04 US disclosed
EP-1477490-A1 PYRROLOPYRIMIDINE DERIVATIVE TEIJIN LIMITED (JP) 2004-11-17 EP disclosed
US-4415684-A POLYMER STABILIZERS THE B. F. GOODRICH COMPANY (US) 1983-11-15 US disclosed
US-4207228-A POLYOLEFINS THE B. F. GOODRICH COMPANY (US) 1980-06-10 US disclosed
EP-0001560-A2 UV-light-stabilized compositions containing substituted 1,5-diazacycloalkanes and 2-keto-1,5-diazacycloalkanes, novel compounds and synthesis thereof The B.F. GOODRICH Company (US) 1979-05-02 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 (8 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-20210015933-A1 BIOACTIVE CARBOXYLIC ACID TYPE COMPOUND-POLYMER CONJUGATE, AND METHOD FOR MANUFACTURING THE SAME HCAR1, HCAR2, MCCC2 EPAS1 3393/4885ALDH1A1 285/4885HTR2C 3210/4885
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SOAT1, SLC7A1, ODC1 EPAS1 4580/4885ALDH1A1 1001/4885HTR2C 2550/4885
US-20210100814-A1 Use of GABAA receptor modulators for treatment of itch GABRB2, GABRB3, GABRB1 EPAS1 3572/4885ALDH1A1 996/4885HTR2C 386/4885
US-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR ALG1, NGLY1, SAT1 EPAS1 3235/4885ALDH1A1 388/4885HTR2C 2259/4885
US-20050171094-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP EPAS1 2230/4885ALDH1A1 4231/4885HTR2C 2734/4885
US-11529359-B2 Use of GABAA receptor modulators for treatment of itch GABRB2, GABRB3, GABRB1 EPAS1 3572/4885ALDH1A1 996/4885HTR2C 386/4885
US-10786513-B2 Use of GABAA receptor modulators for treatment of itch GABRB2, GABRB3, GABRB1 EPAS1 3572/4885ALDH1A1 996/4885HTR2C 386/4885
US-20220152037-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF PAIN GABRB2, GABRB1, GABBR1 EPAS1 2850/4885ALDH1A1 820/4885HTR2C 267/4885

“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.