SCHEMBL26499575

SCHEMBL26499575

C[C@H]1CC[C@H]2C(CC[C@@H]3C2CC[C@@]2(C)C3CCC2[C@@H](C)N(C)C(=O)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.49
BCHE P06276 9/20 0.46
EBP Q15125 5/20 0.44
DHCR7 Q9UBM7 5/20 0.44
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36

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
SCHEMBL26499565 1.00 ACHE (0.49) ACHEBCHEEBPDHCR7GABRA1
SCHEMBL22072575 0.87 GABRA1 (0.50) ACHEBCHEEBPDHCR7GABRA1
SCHEMBL22072577 0.87 GABRA1 (0.50) ACHEBCHEEBPDHCR7GABRA1
SCHEMBL28630490 0.87 GABRA1 (0.50) ACHEBCHEEBPDHCR7GABRA1
SCHEMBL25050361 0.87 GABRA1 (0.50) ACHEBCHEEBPDHCR7GABRA1
SCHEMBL25052039 0.87 GABRA1 (0.50) ACHEBCHEEBPDHCR7GABRA1
SCHEMBL22033310 0.87 GABRA1 (0.50) ACHEBCHEEBPDHCR7GABRA1
SCHEMBL25050363 0.87 GABRA1 (0.50) ACHEBCHEEBPDHCR7GABRA1
SCHEMBL22033309 0.87 GABRA1 (0.50) ACHEBCHEEBPDHCR7GABRA1
SCHEMBL28630492 0.87 GABRA1 (0.50) ACHEBCHEEBPDHCR7GABRA1

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-11912738-B2 Neuroactive steroids and their methods of use SAGE THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230322849-A1 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2023-10-12 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-20230322849-A1 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE NR3C2, MC2R, NR3C1 ACHE 142/4885BCHE 645/4885EBP 655/4885
US-11912738-B2 Neuroactive steroids and their methods of use NR3C2, MC2R, NR3C1 ACHE 142/4885BCHE 645/4885EBP 655/4885

“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.