SCHEMBL14768541

SCHEMBL14768541

COCCN1CC(CN)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.44
NCF1 P14598 1/20 0.37
HSD11B1 P28845 1/20 0.33
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRM1 P35372 1/20 0.31
MAP3K12 Q12852 1/20 0.30

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
SCHEMBL11972716 0.84 NCF1 (0.45) GBA1NCF1HSD11B1
Trifluoroacetic Acid SCHEMBL26615637 0.83 GBA1 (0.38) GBA1HSD11B1OPRM1
SCHEMBL14751750 0.80 GBA1 (0.46) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL20888184 0.80 GBA1 (0.46) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL24658661 0.79 CYP2D6 (0.38) NCF1CYP2D6
SCHEMBL11971970 0.79 NCF1 (0.54) GBA1NCF1HSD11B1
SCHEMBL20888183 0.78 GBA1 (0.44) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL19399848 0.78 GBA1 (0.44) GBA1HSD11B1CYP2D6SLC6A2SLC6A4
SCHEMBL24658419 0.78 NCF1 (0.33) NCF1
SCHEMBL11972565 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. 2023-11-02 US disclosed
WO-2023150291-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. (US) 2023-08-10 WO disclosed
WO-2022173756-A1 ANTIBACTERIAL COMPOUNDS FORGE THERAPEUTICS, INC. (US) 2022-08-18 WO disclosed
WO-2013036665-A1 COMPOUNDS FOR USE IN TREATING NEURODEGENERATIVE DISORDERS, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO SATORI PHARMACEUTICALS, INC. (US) 2013-03-14 WO disclosed
WO-2013036669-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC. (US) 2013-03-14 WO 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 (1 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-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE APC, RCC2, CDC37 GBA1 3713/4885NCF1 849/4885HSD11B1 1791/4885

“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.