SCHEMBL24635669

SCHEMBL24635669

CNCC(C)Nc1cccc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 2/20 0.38
HTR1B P28222 1/20 0.38
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL11169978 0.86 MAPT (0.45) KEAP1NFE2L2RAPGEF4MAPTGAA
SCHEMBL27360925 0.85 MAPT (0.45) MAPTGAAALDH1A1HTTLMNA
SCHEMBL11175518 0.83 RAPGEF4 (0.41) KEAP1NFE2L2RAPGEF4MAPTGAA
Hydrochloric Acid SCHEMBL11171999 0.81 RAPGEF4 (0.40) KEAP1NFE2L2RAPGEF4MAPTGAA
SCHEMBL24635646 0.81 GABRA1 (0.33) MAPTGAAALDH1A1KMT2ACYP3A4
SCHEMBL7026512 0.80 KMT2A (0.45) KEAP1NFE2L2RAPGEF4MAPTGAA
SCHEMBL24635660 0.77 MAPT (0.44) KEAP1NFE2L2RAPGEF4MAPTGAA
SCHEMBL10393919 0.77 KEAP1 (0.48) KEAP1NFE2L2RAPGEF4MAPTGAA
SCHEMBL11169745 0.76 MAPT (0.43) KEAP1NFE2L2RAPGEF4MAPTGAA
SCHEMBL12976027 0.76 KEAP1 (0.44) KEAP1NFE2L2RAPGEF4MAPTGAA

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-20240228479-A1 PROCESS FOR SYNTHESIZING 2-BROMOLYSERGIC ACID DIETHYLAMIDE VIA CONTROLLED BROMINATION OF LYSERGIC ACID CERUVIA LIFESCIENCES LLC (US) 2024-07-11 US disclosed
WO-2022226408-A1 NOVEL ERGOLINES AND METHODS OF TREATING MOOD DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2022-10-27 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-20240228479-A1 PROCESS FOR SYNTHESIZING 2-BROMOLYSERGIC ACID DIETHYLAMIDE VIA CONTROLLED BROMINATION OF LYSERGIC ACID LIPA, NAAA, BRS3 KEAP1 4056/4885NFE2L2 3356/4885RAPGEF4 3190/4885

“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.