SCHEMBL31453966

SCHEMBL31453966

CSc1nncc(N2CCC(F)(F)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 5/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.33
▸ PTGER4 P35408 1/20 0.31
▸ PIK3CA P42336 1/20 0.31

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
SCHEMBL31453957 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTKDM4ERXFP1
SCHEMBL15854633 0.68 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1KDM4EKMT2A
SCHEMBL27344417 0.68 CYP11B1 (0.42) CYP11B1CYP11B2CNR2PIM1PIM3
SCHEMBL23425739 0.68 ADRA1A (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2HTT
SCHEMBL20797957 0.66 KMT2A (0.47) MAPTKDM4ERXFP1KMT2AFFAR4
SCHEMBL26744058 0.66 KDM4E (0.38) CYP11B1CYP11B2ALDH1A1KDM4EKMT2A
SCHEMBL24394248 0.65 TTK (0.39) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL22152111 0.65 PIM1 (0.41) CYP11B1CYP11B2ALDH1A1KDM4EKMT2A
SCHEMBL12615343 0.65 KDM4E (0.60) CYP11B1CYP11B2ALDH1A1KDM4EKMT2A
SCHEMBL26695137 0.62 ADRB2 (0.39) TRPV3PTGER4ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568746-B1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-04-29 — — EP disclosed
US-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-07-24 — — US disclosed
CN-119768401-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-04-04 — — CN 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-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES GRIN2C, CYP3A4, BICRA CYP11B1 72/4885CYP11B2 65/4885ALDH1A1 949/4885

“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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