SCHEMBL19655773

SCHEMBL19655773

CC[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(CO)CC[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
GABRP O00591 10/20 0.39
GABRD O14764 10/20 0.39
GABRA1 P14867 10/20 0.39
GABRB1 P18505 10/20 0.39
GABRG2 P18507 10/20 0.39
GABRB3 P28472 10/20 0.39
GABRA5 P31644 10/20 0.39
GABRA3 P34903 10/20 0.39
GABRA2 P47869 10/20 0.39
GABRB2 P47870 10/20 0.39
GABRA4 P48169 10/20 0.39
GABRE P78334 10/20 0.39
GABRA6 Q16445 10/20 0.39
GABRG1 Q8N1C3 10/20 0.39
GABRG3 Q99928 10/20 0.39
GABRQ Q9UN88 10/20 0.39
SHBG P04278 1/20 0.39

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
SCHEMBL20326258 1.00 GRIN1 (0.42) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL22072807 0.82 GRIN1 (0.42) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL4385665 0.82 GRIN1 (0.42) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL20327027 0.80 GABRA1 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19303482 0.80 LMNA (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1173075 0.79 GRIN1 (0.41) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL22072638 0.79 GABRP (0.46) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL28139742 0.79 GRIN1 (0.41) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL23344350 0.79 GRIN1 (0.40) GRIN1GRIN2BGABRPGABRDGABRA1
SCHEMBL16189824 0.79 GABRP (0.47) GRIN1GRIN2BGABRPGABRDGABRA1

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-10435431-B2 3,3 disubstituted 19-nor pregnane compounds, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2019-10-08 US disclosed
US-20170342103-A1 3,3 DISUBSTITUTED 19-NOR PREGNANE COMPOUNDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2017-11-30 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-20170342103-A1 3,3 DISUBSTITUTED 19-NOR PREGNANE COMPOUNDS, COMPOSITIONS, AND USES THEREOF HSD3B1, HSD3B2, CYP11B1 GRIN1 122/4885GRIN2B 57/4885GABRP 135/4885
US-10435431-B2 3,3 disubstituted 19-nor pregnane compounds, compositions, and uses thereof HSD3B1, HSD3B2, CYP11B1 GRIN1 122/4885GRIN2B 57/4885GABRP 135/4885

“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.