SCHEMBL25858666

SCHEMBL25858666

C=C(C(C)C)C(CCCNC(=N)N)NC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY4R P50391 11/20 0.32
NPY1R P25929 7/20 0.32
NPY5R Q15761 6/20 0.32
NPY2R P49146 3/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL26329010 0.86 MEN1 (0.33) MEN1CYP1A2KMT2ASMN1; SMN2NPY4R
SCHEMBL20792037 0.81 MEN1 (0.37) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL13769032 0.81 NPY4R (0.36) MEN1CYP1A2KMT2ASMN1; SMN2NPY4R
SCHEMBL14632143 0.81 NPY4R (0.36) MEN1CYP1A2KMT2ASMN1; SMN2NPY4R
SCHEMBL15478607 0.81 NPY4R (0.36) MEN1CYP1A2KMT2ASMN1; SMN2NPY4R
SCHEMBL19187427 0.80 MEN1 (0.36) MEN1CYP1A2KMT2ASMN1; SMN2NPY4R
SCHEMBL26429269 0.78 NPY4R (0.41) MEN1CYP1A2KMT2ASMN1; SMN2NPY4R
SCHEMBL8120411 0.78 NPY4R (0.41) MEN1CYP1A2KMT2ASMN1; SMN2NPY4R
SCHEMBL1388278 0.78 NPY4R (0.41) MEN1CYP1A2KMT2ASMN1; SMN2NPY4R
SCHEMBL93473 0.77 FOLH1 (0.38) MEN1CYP1A2KMT2ASMN1; SMN2NPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO, INC. 2023-07-20 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-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF COMT, PNMT, ABCB1 MEN1 3337/4885CYP1A2 59/4885KMT2A 819/4885

“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.