SCHEMBL25252279

SCHEMBL25252279

CC(C)c1ccc(N(C)c2ccc(Br)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
KDM4C Q9H3R0 3/20 0.40
DHFR P00374 1/20 0.40
PANK3 Q9H999 2/20 0.36
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
S1PR1 P21453 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
PARP1 P09874 1/20 0.32
KDR P35968 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PYCR1 P32322 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
SCHEMBL30013001 1.00 GBA1 (0.45) GBA1NPC1RAB9AKDM4CDHFR
SCHEMBL30019000 0.80 GBA1 (0.47) GBA1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30488787 0.80 GBA1 (0.50) GBA1NPC1RAB9ADHFRALDH1A1
SCHEMBL25301327 0.80 GBA1 (0.50) GBA1NPC1RAB9ADHFRALDH1A1
SCHEMBL17602137 0.77 KDM4C (0.45) NPC1RAB9AKDM4CDHFRSMN1; SMN2
SCHEMBL30018321 0.76 GBA1 (0.44) GBA1NPC1RAB9AKDM4CALDH1A1
SCHEMBL22453524 0.76 GBA1 (0.44) GBA1NPC1RAB9AKDM4CALDH1A1
SCHEMBL31217230 0.75 GBA1 (0.42) GBA1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17602046 0.75 KDM4C (0.51) RAB9AKDM4CDHFRKMT2ATRPV1
SCHEMBL20267734 0.73 DHFR (0.48) GBA1KDM4CDHFRKMT2AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 US disclosed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 WO disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 US 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 (4 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY GBA1 776/4885NPC1 2075/4885RAB9A 1138/4885
US-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 GBA1 558/4885NPC1 1051/4885RAB9A 494/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY GBA1 776/4885NPC1 2075/4885RAB9A 1138/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 GBA1 1354/4885NPC1 1819/4885RAB9A 1270/4885

“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.