SCHEMBL16790629

SCHEMBL16790629

NCCc1ccc(CNCc2cnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 1/20 0.38
TAAR1 Q96RJ0 9/20 0.35
HTR2A P28223 4/20 0.35
CYP2A6 P11509 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
SLC6A2 P23975 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR3A P46098 1/20 0.35
BACE1 P56817 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 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
SCHEMBL14134324 0.81 CHRM2 (0.43) KDM4EALDH1A1CYP2C19KMT2ASMN1; SMN2
SCHEMBL12939666 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16092986 0.79
SCHEMBL17026027 0.78 CYP1A2 (0.31) CYP1A2
SCHEMBL3062166 0.73
SCHEMBL19941509 0.69 TAAR1 (0.39) AKT2TAAR1HTR2ACYP2A6LOXL2
SCHEMBL23948654 0.69
SCHEMBL6575879 0.68 MC4R (0.53) TAAR1HTR2ACYP2A6LOXL2CYP1A2
Phenethylamine SCHEMBL5746322 0.68 HTR2A (0.73) TAAR1HTR2ACYP2A6LOXL2KMT2A
SCHEMBL17942079 0.66

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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 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 (2 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 AKT2 1051/4885TAAR1 3891/4885HTR2A 3898/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 AKT2 1051/4885TAAR1 3891/4885HTR2A 3898/4885

“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.