SCHEMBL25822276

SCHEMBL25822276

COCCOc1cccc(OCCNN)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SYK P43405 1/20 0.42
DRD3 P35462 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL25822227 0.92 CYP1A2 (0.65) MAPK1CYP1A2CYP2D6CYP2C19MTNR1A
SCHEMBL25822233 0.92 CYP1A2 (0.65) MAPK1CYP1A2CYP2D6CYP2C19MTNR1A
SCHEMBL15723552 0.85 MAPK1 (0.58) MAPK1CYP1A2CYP2D6CYP2C19MTNR1A
SCHEMBL13881609 0.84 HTR1B (0.61) MAPK1CYP1A2CYP2D6CYP2C19MTNR1A
SCHEMBL25822263 0.84 CYP1A2 (0.51) MAPK1CYP1A2CYP2D6CYP2C19MTNR1A
SCHEMBL25822241 0.81 TSHR (0.61) MAPK1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL11455127 0.81 DRD2 (0.64) MAPK1KDM4EALDH1A1DRD2DRD4
SCHEMBL29819073 0.80 TAAR1 (0.55) MAPK1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL2204148 0.80 TAAR1 (0.55) MAPK1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL25822195 0.80 GALR3 (0.49) MAPK1CYP1A2CYP2D6CYP2C19MTNR1A

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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER MAPK1 2460/4885CYP1A2 2835/4885CYP2D6 3632/4885

“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.