SCHEMBL25623935

SCHEMBL25623935

O=C(O)c1cnn(C2CCC2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
OPRK1 P41145 2/20 0.36
HSD11B1 P28845 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
KMT2A Q03164 1/20 0.33
PDE9A O76083 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1407004 0.80 HCAR3 (0.38) HCAR3KEAP1NFE2L2HSD11B1KDM5A
SCHEMBL27758276 0.80 ALOX15 (0.41) HCAR3KEAP1NFE2L2HSD11B1KDM5A
SCHEMBL2671108 0.78 LMNA (0.48) OPRK1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1407026 0.77 CNR2 (0.39) HCAR3KEAP1NFE2L2HSD11B1KDM5A
SCHEMBL574429 0.77 TRPV4 (0.43) HCAR3KEAP1NFE2L2HSD11B1KDM5A
SCHEMBL27758267 0.77 ALOX15 (0.41) HCAR3KEAP1NFE2L2HSD11B1KDM5A
SCHEMBL1407231 0.76 POLB (0.49) HCAR3KEAP1NFE2L2HSD11B1KDM5A
SCHEMBL6052465 0.75 TRPV4 (0.45) HCAR3HSD11B1ALDH1A1KDM4E
SCHEMBL1406962 0.75 CNR2 (0.41) HCAR3KEAP1NFE2L2OPRK1HSD11B1
SCHEMBL27737776 0.75 HSD11B1 (0.40) HCAR3KEAP1NFE2L2OPRK1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-06-06 US disclosed
US-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-06-06 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 (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-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, PAICS HCAR3 2320/4885KEAP1 599/4885NFE2L2 502/4885

“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.