SCHEMBL17517484

SCHEMBL17517484

CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3ccc4[nH]c5cnc(C(=O)OC(C)(C)C)cc5c4c3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 1.00
GABRG2 P18507 20/20 1.00
GABRB3 P28472 20/20 1.00
GABRA3 P34903 19/20 1.00
GABRA2 P47869 19/20 1.00
GABRA5 P31644 18/20 0.91
GABRA6 Q16445 15/20 0.91
GABRA4 P48169 11/20 0.91
GABRP O00591 4/20 0.72
GABRD O14764 4/20 0.72
GABRB1 P18505 4/20 0.72
GABRB2 P47870 4/20 0.72
GABRE P78334 4/20 0.72
GABRG1 Q8N1C3 4/20 0.72
GABRG3 Q99928 4/20 0.72
GABRQ Q9UN88 4/20 0.72
UBE2N P61088 1/20 0.54
KDM4E B2RXH2 1/20 0.52
PDE5A O76074 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL2352291 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29635240 0.84 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9075631 0.78 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL11288083 0.76 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10707136 0.76 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL20340622 0.76 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10707662 0.75 GABRA1 (0.76) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10708806 0.74 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7380799 0.74 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9839008 0.74 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD (CN) 2018-07-03 US disclosed
US-20160039845-A1 BIS-B-CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD (CN) 2016-02-11 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-20160039845-A1 BIS-B-CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF BRCA1, CA7, DCK GABRA1 2323/4885GABRG2 3333/4885GABRB3 1560/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK GABRA1 2755/4885GABRG2 3738/4885GABRB3 2070/4885

“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.