SCHEMBL13316004

SCHEMBL13316004

[C-]#[N+]c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL13208363 0.84 GABRA1 (0.33) GABRA1GABRB2POLB
SCHEMBL13208373 0.84 GABRA1 (0.33) GABRA1GABRB2POLB
SCHEMBL13208354 0.84 GABRA1 (0.33) GABRA1GABRB2POLBGAA
SCHEMBL1754079 0.77 HDAC8 (0.42) GAAMAPTRXRARXRBALDH1A1
SCHEMBL93161 0.76 GABRA1 (0.69) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL13208447 0.75 — —
SCHEMBL4402383 0.74 TSHR (0.48) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL10394690 0.73 GABRA1 (0.65) GABRA1GABRB2POLBKDM4EGAA
SCHEMBL10415675 0.73 GABRA1 (0.65) GABRA1GABRB2POLBKDM4EGAA
Hydrochloric Acid SCHEMBL28547461 0.72 GABRA1 (0.44) GABRA1GABRB2POLBKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4696679-A1 CHIRAL PYRIDINIUM SALT CARBONYL CATALYST, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Normal University (CN) 2026-02-18 — — EP disclosed
WO-2025002445-A1 CHIRAL PYRIDINIUM SALT CARBONYL CATALYST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海师范大学 2025-01-02 — — WO disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 — — US disclosed
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2007-12-20 — — US disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 — — 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 (2 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-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP GABRA1 3518/4885GABRB2 3239/4885POLB 1363/4885
US-20070293483-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP GABRA1 3518/4885GABRB2 3239/4885POLB 1363/4885

“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.

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