SCHEMBL21790235

SCHEMBL21790235

CC(=O)CC(N)C(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
SLC7A5 Q01650 1/20 0.36
GRIK1 P39086 5/20 0.35

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
SCHEMBL17810229 1.00 ALDH1A1 (0.48) ALDH1A1TDP1GABRPGABRDGABRA1
SCHEMBL25836557 1.00 ALDH1A1 (0.48) ALDH1A1TDP1GABRPGABRDGABRA1
SCHEMBL24983982 0.82 ALDH1A1 (0.41) ALDH1A1TDP1GABRPGABRDGABRA1
SCHEMBL18401003 0.81 GRIK1 (0.35) ALDH1A1TDP1GABRPGABRDGABRA1
SCHEMBL16018408 0.80 GABRP (0.36) ALDH1A1TDP1GABRPGABRDGABRA1
SCHEMBL4397917 0.80 GABRP (0.46) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL13050663 0.80 GABRP (0.36) ALDH1A1TDP1GABRPGABRDGABRA1
SCHEMBL10212359 0.80 GABRP (0.46) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL12132308 0.80 GABRP (0.46) TDP1GABRPGABRDGABRA1GABRB1
SCHEMBL10140608 0.80 GABRP (0.36) ALDH1A1TDP1GABRPGABRDGABRA1

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-20230322743-A1 NOVEL SAFRYLAMINE DERIVATIVES HAVING PRODRUG PROPERTIES MIHKAL GMBH (CH) 2023-10-12 US disclosed
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Sanford Burnham Prebys Medical Discovery Institute 2023-05-04 US disclosed
US-20210300874-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF ALCON INC. (CH) 2021-09-30 US disclosed
US-10905766-B2 Therapeutic compositions and methods for treatment of muscle wasting diseases OREGON STATE UNIVERSITY (US) 2021-02-02 US disclosed
WO-2020047496-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF AERIE PHARMACEUTICALS, INC. (US) 2020-03-05 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 (4 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-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME ULK2, ULK1, ULK3 ALDH1A1 4012/4885TDP1 607/4885GABRP 3219/4885
US-10905766-B2 Therapeutic compositions and methods for treatment of muscle wasting diseases TNNC1, PYGM, MYLK2 ALDH1A1 4503/4885TDP1 824/4885GABRP 1778/4885
US-20230322743-A1 NOVEL SAFRYLAMINE DERIVATIVES HAVING PRODRUG PROPERTIES HTR2A, HTR2C, HTR1D ALDH1A1 370/4885TDP1 990/4885GABRP 983/4885
US-20210300874-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF GRK1, TNK2, CYP11B2 ALDH1A1 2571/4885TDP1 1729/4885GABRP 2333/4885

“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.