SCHEMBL25822184

SCHEMBL25822184

CCC(CC)COc1cccc(OCCNN)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 4/20 0.41
NSD2 O96028 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
TSHR P16473 2/20 0.39
DRD3 P35462 1/20 0.38
MAOA P21397 1/20 0.38
PTGS1 P23219 1/20 0.38
HIF1A Q16665 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
SCHEMBL25822164 0.88 CYP1A2 (0.43) MAPK1CYP1A2CYP2D6CYP2C19MTNR1A
SCHEMBL13881639 0.86 HTR1B (0.54) MAPK1CYP1A2CYP2D6CYP2C19MTNR1A
SCHEMBL17138204 0.83 TSHR (0.49) MAPK1MTNR1AMTNR1BKDM4ESMN1; SMN2
SCHEMBL29818970 0.83 TAAR1 (0.48) MAPK1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL2205973 0.83 TAAR1 (0.48) MAPK1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL4568778 0.82 KMT2A (0.50) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL25822263 0.82 CYP1A2 (0.51) MAPK1CYP1A2CYP2D6CYP2C19MTNR1A
SCHEMBL25818112 0.80 MTNR1A (0.43) CYP2D6MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL25822241 0.80 TSHR (0.61) MAPK1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL25818072 0.78 MTNR1A (0.44) MTNR1AMTNR1BKDM4ENSD2ALDH1A1

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.