SCHEMBL25822898

SCHEMBL25822898

CNCOc1cc(CCN)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.63
TAAR1 Q96RJ0 3/20 0.63
TSHR P16473 3/20 0.63
LMNA P02545 4/20 0.61
GLA P06280 1/20 0.61
KDM4E B2RXH2 4/20 0.53
MAPT P10636 4/20 0.53
ADRA2A P08913 2/20 0.53
DRD2 P14416 2/20 0.53
DRD1 P21728 2/20 0.53
DRD4 P21917 2/20 0.53
DRD5 P21918 2/20 0.53
SLC6A2 P23975 2/20 0.53
DRD3 P35462 2/20 0.53
RECQL P46063 2/20 0.53
SLC6A3 Q01959 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
APEX1 P27695 2/20 0.53
TP53 P04637 2/20 0.53
ALOX15 P16050 2/20 0.53

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
SCHEMBL12788915 0.81 TSHR (0.69) MAPK1TAAR1TSHRLMNAGLA
SCHEMBL29365033 0.78 TAAR1 (1.00) MAPK1TAAR1TSHRLMNAGLA
SCHEMBL68386 0.78 TAAR1 (1.00) MAPK1TAAR1TSHRLMNAGLA
Hydrochloric Acid SCHEMBL347598 0.76 TAAR1 (1.00) MAPK1TAAR1TSHRLMNAGLA
Hydrochloric Acid SCHEMBL7360734 0.75 TAAR1 (0.77) MAPK1TAAR1TSHRLMNAGLA
Hydrochloric Acid SCHEMBL15845572 0.75 TAAR1 (0.93) MAPK1TAAR1TSHRLMNAGLA
SCHEMBL21709064 0.74 TAAR1 (0.58) MAPK1TAAR1TSHRLMNAGLA
SCHEMBL14213279 0.74 TSHR (0.62) MAPK1TAAR1TSHRLMNAGLA
SCHEMBL23309939 0.73 TAAR1 (0.67) MAPK1TAAR1TSHRLMNAGLA
Deoxiepinephrine SCHEMBL14918907 0.73 MAPT (0.83) MAPK1TAAR1TSHRLMNAGLA

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-20230218768-A1 Chemically Coupled Transporter for Low-Hydrophobicity Bioactive Drugs into the Central Nervous System CONSEJO NACIONAL DE INVESTIGACIONES CIENTÍFICAS Y TÉCNICAS (CONICET) (AR) 2023-07-13 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-20230218768-A1 Chemically Coupled Transporter for Low-Hydrophobicity Bioactive Drugs into the Central Nervous System SLC6A3, SLC18A2, TSPO MAPK1 2450/4885TAAR1 756/4885TSHR 1795/4885

“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.