SCHEMBL30775994

SCHEMBL30775994

O=c1ccc(C(F)(F)F)cn1CC1CC2(CNC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 3/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL31532472 0.81 DRD3 (0.33)
SCHEMBL25146047 0.81 GRM2 (0.35) KMT2AMEN1
SCHEMBL25145572 0.80 TDP1 (0.48) TDP1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL25327092 0.77 GRIA1 (0.33)
SCHEMBL31532465 0.76 CYP1A2 (0.35) L3MBTL1CYP1A2CYP2D6
SCHEMBL31532385 0.76 MAT2A (0.33) KMT2APOLBHTTMAPTPKM
SCHEMBL30409731 0.76 MGLL (0.40) TDP1KDM4ENPC1RAB9AKMT2A
SCHEMBL25945329 0.73 GRIA2 (0.33)
SCHEMBL25145559 0.71 MGLL (0.33)
SCHEMBL25945414 0.69 TDP1 (0.38) TDP1L3MBTL1

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
EP-4568972-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
CN-119654326-A Novel heterocyclic compounds 豪夫迈·罗氏有限公司 2025-03-18 CN disclosed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
WO-2024033277-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 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 (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-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 TDP1 3116/4885L3MBTL1 2114/4885KDM4E 1148/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 TDP1 2538/4885L3MBTL1 2121/4885KDM4E 1137/4885

“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.