SCHEMBL19938024

SCHEMBL19938024

CC(C)(C)CCNCc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.46
OPRM1 P35372 3/20 0.43
OPRK1 P41145 3/20 0.43
OPRD1 P41143 1/20 0.43
EPHX2 P34913 1/20 0.41
CHRM2 P08172 2/20 0.40
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GFER P55789 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9784473 0.86 ESR1 (0.47) OPRM1OPRK1OPRD1CHRM2HRH4
SCHEMBL21799653 0.85 OPRM1 (0.40) OPRM1OPRK1OPRD1CHRM2ANPEP
SCHEMBL24431404 0.82 L3MBTL1 (0.44) OPRM1OPRK1OPRD1CHRM2HRH4
SCHEMBL13965851 0.81 CHRM2 (0.58) HTR2AEPHX2CHRM2KMT2ACA1
SCHEMBL17282056 0.81 ESR1 (0.50) OPRM1OPRK1OPRD1CHRM2HRH4
SCHEMBL13602556 0.80 KMT2A (0.64) CHRM2TDP1MEN1KMT2ACYP3A4
SCHEMBL17282169 0.79 GAA (0.55) EPHX2MEN1KMT2ACA1CA2
SCHEMBL13965833 0.78 SCN8A (0.51) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL24023612 0.78 SMN1; SMN2 (0.56) OPRM1OPRK1CHRM2HRH4HRH3
SCHEMBL13493227 0.78 CHRM2 (0.44) HTR2ACHRM2HRH4HRH3TDP1

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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 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-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 HTR2A 3898/4885OPRM1 1357/4885OPRK1 923/4885

“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.