SCHEMBL20529667

SCHEMBL20529667

Fc1ccc(-c2ccc3nnn(CC(F)(F)F)c3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 3/20 0.53
GRIN1 Q05586 10/20 0.43
GRIN2B Q13224 10/20 0.43
ATM Q13315 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
METAP2 P50579 2/20 0.36
GRM2 Q14416 2/20 0.36
CYP11B2 P19099 1/20 0.35

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
SCHEMBL24024526 0.83 TDO2 (0.49) TDO2GRIN1GRIN2BATMMETAP2
SCHEMBL20529702 0.80 TDO2 (0.56) TDO2GRM2
SCHEMBL24024549 0.77 TDO2 (0.46) TDO2GRIN1GRIN2BATM
SCHEMBL24024564 0.76 TDO2 (0.53) TDO2
SCHEMBL26004908 0.75 TDO2 (0.42) TDO2ATM
SCHEMBL20529669 0.73 TDO2 (0.51) TDO2GRM2
SCHEMBL24024556 0.71 TDO2 (0.47) TDO2
SCHEMBL24024584 0.69 TDO2 (0.48) TDO2
SCHEMBL20529673 0.69 TDO2 (0.41) TDO2CYP2C9METAP2GRM2
SCHEMBL30701769 0.69 TDO2 (0.41) TDO2CYP2C9METAP2GRM2

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-11731966-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
WO-2018187480-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-10-11 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-11731966-B2 Compounds and their methods of use SCN1A, SCN3A, SCN1B TDO2 4221/4885GRIN1 141/4885GRIN2B 120/4885

“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.