SCHEMBL21594074

SCHEMBL21594074

COc1cc(C(C)OC2CCCCO2)c(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SCN9A Q15858 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
PTPN1 P18031 2/20 0.32
F2RL3 Q96RI0 1/20 0.32
RET P07949 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29757581 1.00 NPC1 (0.36) NPC1RAB9ASCN9AKDM4CPTPN1
SCHEMBL29757579 0.83 NPC1 (0.34) NPC1RAB9ASCN9AKDM4CPTPN1
SCHEMBL21594073 0.83 NPC1 (0.34) NPC1RAB9ASCN9AKDM4CPTPN1
SCHEMBL26260675 0.77 MITF (0.34) NPC1RAB9ASCN9APTPN1
SCHEMBL31568981 0.77 KDM4C (0.32) NPC1RAB9AKDM4CPTPN1
SCHEMBL28796340 0.75 NPC1 (0.34) NPC1RAB9AKDM4CPTPN1
SCHEMBL21752260 0.74 KDM4C (0.34) NPC1RAB9AKDM4CL3MBTL1
SCHEMBL566131 0.73 HSD11B1 (0.39) NPC1RAB9AKDM4CPTPN1
SCHEMBL28782014 0.73 SLC6A3 (0.34) KDM4CPTPN1
SCHEMBL21591631 0.73 NPC1 (0.52) NPC1RAB9ASCN9AKDM4CL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-20230219959-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-07-13 US disclosed
CN-114728976-A HYDRO-1H-PYRROLO [1,2-A ] PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 豪夫迈·罗氏有限公司 2022-07-08 CN disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
WO-2021099284-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-05-27 WO disclosed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 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 (3 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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 NPC1 1635/4885RAB9A 248/4885SCN9A 985/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 NPC1 1410/4885RAB9A 190/4885SCN9A 763/4885
US-20230219959-A1 HYDRO-1H-PYRROLO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE AQP1, HRH2, HRH1 NPC1 3149/4885RAB9A 1108/4885SCN9A 1423/4885

“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.