SCHEMBL30694880

SCHEMBL30694880

C[C@@H]1CN(c2cn[nH]c(=O)c2)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ ATM Q13315 3/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ TSHR P16473 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
SCHEMBL30694876 0.78 CHRNB4 (0.36) SYK
SCHEMBL21590964 0.75 PDE3B (0.38) PDE3BPDE3A
SCHEMBL30961923 0.73 POLB (0.46) MAPTALDH1A1HSD17B10KMT2A
SCHEMBL5759446 0.72 ALDH1A1 (0.47) MAPTALDH1A1KMT2AKDM4E
SCHEMBL1588164 0.72 POLB (0.50) MAPTRAB9AALDH1A1KMT2AKDM4E
SCHEMBL3704744 0.68 MAPT (0.41) MAPTRAB9AALDH1A1KMT2AKDM4E
SCHEMBL30961905 0.68 TIPARP (0.51) MAPTRAB9AALDH1A1KMT2AKDM4E
SCHEMBL5743091 0.66 LMNA (0.46) MAPTALDH1A1KMT2AATMKDM4E
SCHEMBL31574277 0.66 SYK (0.41) KDM4ESYK
SCHEMBL21557997 0.65 MAPT (0.45) MAPTRAB9AALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 — — US claimed

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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 MAPT 2899/4885RAB9A 855/4885ALDH1A1 1215/4885

“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.

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