Gabaculine

Gabaculine

SCHEMBL6237522

NC1C=C(C(=O)O)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 1.00
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRR1 P24046 1/20 0.39
ABAT P80404 1/20 0.39
CES2 O00748 2/20 0.34
LMNA P02545 1/20 0.33

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
Gabaculine SCHEMBL23622815 1.00 OAT (1.00) OATTSHRMAPK1HSD17B10TDP1
Gabaculine SCHEMBL22691967 1.00 OAT (1.00) OATTSHRMAPK1HSD17B10TDP1
Gabaculine SCHEMBL23142324 0.98 OAT (0.96) OATTSHRMAPK1HSD17B10TDP1
SCHEMBL30782573 0.87
SCHEMBL23144983 0.87
SCHEMBL23142323 0.77 OAT (0.62) OATTSHRMAPK1HSD17B10THRB
SCHEMBL23622833 0.77 OAT (0.62) OATTSHRMAPK1HSD17B10THRB
SCHEMBL23622807 0.77 OAT (0.62) OATTSHRMAPK1HSD17B10THRB
SCHEMBL6518383 0.77 OAT (0.62) OATTSHRMAPK1HSD17B10TDP1
SCHEMBL25918222 0.77 OAT (0.62) OATTSHRMAPK1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220233133-A1 HUMAN TACTILE PREPULSE INHIBITION ASSAY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-07-28 US disclosed
US-20210206714-A1 COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-07-08 US disclosed
US-6927290-B2 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-09 US disclosed
EP-1160236-B1 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL CO (JP) 2005-05-25 EP disclosed
US-20040210059-A1 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-10-21 US disclosed
US-6753431-B2 REACTING A CARBAMATE DERIVATIVE WITH CARBOXYLIC AND HALOFORMIC ACID DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-06-22 US disclosed
US-20020032346-A1 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL CO., LTD. 2002-03-14 US disclosed
EP-1160236-A2 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-05 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 (3 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-20210206714-A1 COMPOSITIONS AND METHODS FOR REDUCING TACTILE DYSFUNCTION, ANXIETY, AND SOCIAL IMPAIRMENT PMP22, GABBR1, GABBR2 OAT 421/4885TSHR 3757/4885MAPK1 4400/4885
US-20040210059-A1 Production of mixed acid anhydride and amide compound CA2, CA1, CA3 OAT 91/4885TSHR 2405/4885MAPK1 1266/4885
US-20020032346-A1 Production of mixed acid anhydride and amide compound CA2, CA1, CA3 OAT 91/4885TSHR 2405/4885MAPK1 1266/4885

“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.