SCHEMBL24480809

SCHEMBL24480809

CC(C)(C)OC(=O)N1CC(N2CCC(N3CCN(C(=O)OCc4ccccc4)CC3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.50
CYP2C19 P33261 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
TMEM97 Q5BJF2 4/20 0.48
SIGMAR1 Q99720 4/20 0.48
HTR1A P08908 2/20 0.48
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
ADRA2C P18825 1/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
STS P08842 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL21876995 0.96 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL21458909 0.96 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL20046242 0.94 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL310136 0.93 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL119649 0.93 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL28636149 0.93 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL21069737 0.93 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL22609548 0.93 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL14497257 0.93 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL31085811 0.93 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383874-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. 2024-11-21 US disclosed
CN-116529248-A Benzene ring derivative, composition and pharmaceutical application thereof 四川海思科制药有限公司 2023-08-01 CN disclosed
WO-2022111526-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2022-06-02 WO disclosed
WO-2022111526-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2022-06-02 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 (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-20240383874-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF AR, SF3B5, SF3B1 SMN1; SMN2 884/4885NPC1 933/4885RAB9A 1759/4885

“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.