SCHEMBL25742136

SCHEMBL25742136

CNC(C)C(=O)c1c[nH]c2cc(Br)ccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.48
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRB2 P47870 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39

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
SCHEMBL25308285 0.89 NR4A2 (0.62) NR4A2ALDH1A1KMT2AGABRA1GABRB1
SCHEMBL26261523 0.89 NR4A2 (0.62) NR4A2ALDH1A1KMT2AGABRA1GABRB1
SCHEMBL29647632 0.89 NR4A2 (0.62) NR4A2ALDH1A1KMT2AGABRA1GABRB1
SCHEMBL26261556 0.89 NR4A2 (0.62) NR4A2ALDH1A1KMT2AGABRA1GABRB1
Hydrochloric Acid SCHEMBL25262906 0.88 NR4A2 (0.60) NR4A2ALDH1A1KMT2AGABRA1GABRB1
SCHEMBL3174938 0.85 NR4A2 (0.49) NR4A2CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL25742139 0.85 NR4A2 (0.45) NR4A2CHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL25742053 0.83 NR4A2 (0.62) NR4A2ALDH1A1KMT2A
SCHEMBL25742185 0.83 KMT2A (0.43) NR4A2ALDH1A1KMT2ATUBB1
SCHEMBL25742050 0.83 GPR84 (0.45) NR4A2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-08-17 US disclosed
US-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-08-17 US disclosed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 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-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT HTR6, TPH2, TPH1 NR4A2 1706/4885CHRNB2 112/4885CHRNA7 106/4885

“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.