SCHEMBL4764499

SCHEMBL4764499

CC(O)C#Cc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
ACACB O00763 3/20 0.42
MAPT P10636 3/20 0.38
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 3/20 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
SCHEMBL28722213 0.80 GABRP (0.45) GABRA1GABRB1GABRPGABRDGABRG2
SCHEMBL5604749 0.80 APP (0.47) GABRA1GABRB1GABRPGABRDGABRG2
SCHEMBL11554713 0.79 ACACB (0.38) GABRA1GABRB1GABRPGABRDGABRG2
SCHEMBL16099001 0.78 GABRP (0.44) GABRA1GABRB1GABRPGABRDGABRG2
SCHEMBL3557030 0.78 CA2 (0.44) GABRA1GABRB1GABRPGABRDGABRG2
SCHEMBL12784777 0.78 GABRP (0.44) GABRA1GABRB1GABRPGABRDGABRG2
SCHEMBL2078757 0.78 GABRP (0.44) GABRA1GABRB1GABRPGABRDGABRG2
SCHEMBL12784452 0.78 GABRP (0.44) GABRA1GABRB1GABRPGABRDGABRG2
SCHEMBL1657802 0.77 APP (0.50) GABRA1GABRB1GABRPGABRDGABRG2
SCHEMBL1657799 0.77 APP (0.50) GABRA1GABRB1GABRPGABRDGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409501-B Method for preparing propargyl alcohol compound by taking pinacol borane as hydrogen source 云南民族大学 2024-05-10 CN disclosed
CN-114409501-A Method for preparing propargyl alcohol compound by taking pinacol borane as hydrogen source 云南民族大学 2022-04-29 CN disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 GABRA1 448/4885GABRB1 576/4885GABRP 720/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GABRA1 239/4885GABRB1 209/4885GABRP 339/4885

“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.