SCHEMBL27075567

SCHEMBL27075567

CC(CCC(=O)[O-])[N+](C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 8/20 1.00
CA1 P00915 2/20 0.58
CA2 P00918 3/20 0.41
FFAR3 O14843 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
GPR84 Q9NQS5 1/20 0.38
SLC22A16 Q86VW1 1/20 0.37

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
SCHEMBL27842954 0.78 BBOX1 (0.64) BBOX1FFAR3HDAC3HDAC1HDAC2
SCHEMBL465409 0.76 BBOX1 (0.61) BBOX1CA1CA2FFAR3HDAC3
Hydrochloric Acid SCHEMBL27951305 0.74 BBOX1 (0.59) BBOX1CA1
Potassium Ion SCHEMBL11596072 0.72
SCHEMBL11595741 0.72 CA1 (0.94) BBOX1CA1CA2FFAR3HDAC3
SCHEMBL8741780 0.72 CA1 (0.94) BBOX1CA1CA2FFAR3HDAC3
SCHEMBL11597405 0.72
SCHEMBL11120607 0.72 CA1 (0.94) BBOX1CA1CA2FFAR3HDAC3
SCHEMBL11597198 0.72 CA1 (0.94) BBOX1CA1CA2FFAR3HDAC3
SCHEMBL8386161 0.72 CA1 (0.94) BBOX1CA1CA2FFAR3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4591861-A1 USE OF 4-TMAP FOR TREATING OR RELIEVING DEPRESSION IBIOME Biotechnology Co., Ltd. (CN) 2025-07-30 EP claimed
WO-2024061251-A1 USE OF 4-TMAP FOR TREATING OR RELIEVING DEPRESSION 合肥瀚微生物科技有限公司 2024-03-28 WO disclosed
WO-2024022426-A1 METHOD FOR PREPARING 4-(TRIMETHYLAMMONIO)PENTANOATE 合肥瀚微生物科技有限公司 2024-02-01 WO disclosed
WO-2024022426-A1 METHOD FOR PREPARING 4-(TRIMETHYLAMMONIO)PENTANOATE 合肥瀚微生物科技有限公司 2024-02-01 WO disclosed