SCHEMBL21998829

SCHEMBL21998829

C1CNC2CCCCC2NC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.35
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
MBTD1 Q05BQ5 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31

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
SCHEMBL30360171 1.00 EPAS1 (0.41) EPAS1L3MBTL1ALDH1A1PKMMAPK1
SCHEMBL14524889 0.97 EPAS1 (0.40) EPAS1L3MBTL1ALDH1A1PKMMAPK1
SCHEMBL24966444 0.93 L3MBTL1 (0.38) EPAS1L3MBTL1ALDH1A1PKMMBTD1
SCHEMBL942322 0.93 L3MBTL1 (0.38) EPAS1L3MBTL1ALDH1A1PKMMBTD1
SCHEMBL5682444 0.93 L3MBTL1 (0.38) EPAS1L3MBTL1ALDH1A1PKMMAPK1
SCHEMBL3094274 0.90 ALDH1A1 (0.39) EPAS1L3MBTL1ALDH1A1PKMMAPK1
SCHEMBL18501167 0.90 L3MBTL1 (0.36) EPAS1L3MBTL1ALDH1A1PKMGRIN1
SCHEMBL29895427 0.90 L3MBTL1 (0.36) EPAS1L3MBTL1ALDH1A1PKMMAPK1
SCHEMBL10622966 0.90 L3MBTL1 (0.36) EPAS1L3MBTL1ALDH1A1PKMMAPK1
SCHEMBL18526481 0.90 ALDH1A1 (0.39) EPAS1L3MBTL1ALDH1A1PKMMAPK1

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 5 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-20210100814-A1 Use of GABAA receptor modulators for treatment of itch UNIVERSITAT ZURICH (CH) 2021-04-08 US disclosed
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2020-11-17 US disclosed
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2020-05-14 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 (5 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-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL EPAS1 4543/4885L3MBTL1 3610/4885ALDH1A1 1595/4885
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL EPAS1 4543/4885L3MBTL1 3610/4885ALDH1A1 1595/4885
US-20210100814-A1 Use of GABAA receptor modulators for treatment of itch GABRB2, GABRB3, GABRB1 EPAS1 3572/4885L3MBTL1 4698/4885ALDH1A1 996/4885
US-11529359-B2 Use of GABAA receptor modulators for treatment of itch GABRB2, GABRB3, GABRB1 EPAS1 3572/4885L3MBTL1 4698/4885ALDH1A1 996/4885
US-20220152037-A1 USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF PAIN GABRB2, GABRB1, GABBR1 EPAS1 2850/4885L3MBTL1 4756/4885ALDH1A1 820/4885

“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.