SCHEMBL25818121

SCHEMBL25818121

CCCC(CCC)COc1cccc(CCCNN)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.43
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
CYP2D6 P10635 6/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
KCNH2 Q12809 2/20 0.39

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
SCHEMBL25818112 0.90 MTNR1A (0.43) BCHEPPARAPPARGCYP2D6MTNR1A
SCHEMBL13881720 0.88 CHRM2 (0.48) BCHEPPARAPPARGCYP2D6MTNR1A
SCHEMBL4568761 0.86 PPARA (0.51) BCHEPPARAPPARGCYP2D6KCNH2
SCHEMBL2208855 0.85 TAAR1 (0.45) BCHEPPARAPPARGCYP2D6
SCHEMBL3964848 0.83 CYP4F2 (0.44) BCHEPPARAPPARG
SCHEMBL13881576 0.82 BCHE (0.42) BCHEPPARAPPARGCYP2D6MTNR1A
SCHEMBL25820080 0.81 CYP2D6 (0.56) PPARAPPARGCYP2D6KCNH2
SCHEMBL25822164 0.81 CYP1A2 (0.43) CYP2D6MTNR1AMTNR1B
SCHEMBL20318730 0.81 PPARA (0.49) BCHEPPARAPPARGCYP2D6KCNH2
SCHEMBL20332390 0.81 TAAR1 (0.43) BCHEPPARAPPARGCYP2D6

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 BCHE 1649/4885PPARA 563/4885PPARG 130/4885

“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.