SCHEMBL31041017

SCHEMBL31041017

O=C1COCCN(Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.48
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
TMEM97 Q5BJF2 3/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
DRD4 P21917 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
ADRA2C P18825 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
CYP2A13 Q16696 1/20 0.45
POLB P06746 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL25045759 0.81 SMN1; SMN2 (0.68) SIGMAR1SMN1; SMN2TSHRDRD4KDM4E
SCHEMBL102338 0.79 SIGMAR1 (0.71) SIGMAR1HTTALDH1A1NPC1RAB9A
SCHEMBL6200777 0.79 SIGMAR1 (0.71) SIGMAR1HTTALDH1A1NPC1RAB9A
SCHEMBL266771 0.78 SLC6A5 (0.59) SIGMAR1SLC6A5
SCHEMBL18065638 0.77 SIGMAR1 (0.68) SIGMAR1HTTALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL6261135 0.77 SIGMAR1 (0.68) SIGMAR1HTTALDH1A1NPC1RAB9A
SCHEMBL948372 0.77 SIGMAR1 (0.68) SIGMAR1HTTALDH1A1NPC1RAB9A
SCHEMBL896379 0.77 SIGMAR1 (0.68) SIGMAR1HTTALDH1A1NPC1RAB9A
Water SCHEMBL1702298 0.77 SIGMAR1 (0.68) SIGMAR1HTTALDH1A1NPC1RAB9A
SCHEMBL28158277 0.77 SIGMAR1 (0.68) SIGMAR1HTTALDH1A1NPC1RAB9A

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-12570672-B2 Macrocyclic compounds and methods of use AMGEN INC. 2026-03-10 US disclosed
US-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-10-02 US disclosed
US-20250236631-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-07-24 US disclosed
US-20240294551-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2024-09-05 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-20250236631-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS SIGMAR1 4811/4885HTT 2204/4885ALDH1A1 3402/4885
US-12570672-B2 Macrocyclic compounds and methods of use KRAS, NRAS, BRAF SIGMAR1 3943/4885HTT 3302/4885ALDH1A1 3351/4885
US-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS SIGMAR1 4811/4885HTT 2204/4885ALDH1A1 3402/4885
US-20240294551-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS SIGMAR1 4811/4885HTT 2204/4885ALDH1A1 3402/4885

“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.