SCHEMBL25818112

SCHEMBL25818112

CCC(CC)COc1cccc(CCCNN)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
BCHE P06276 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CYP2D6 P10635 5/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 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
SCHEMBL25818121 0.90 BCHE (0.43) MTNR1AMTNR1BBCHEPPARGPPARA
SCHEMBL13881804 0.88 CHRM2 (0.50) MTNR1AMTNR1BBCHEPPARGPPARA
SCHEMBL2204946 0.85 TAAR1 (0.47) BCHEPPARGPPARACYP2D6CHRM2
SCHEMBL4568762 0.84 PPARA (0.52) BCHEPPARGPPARACYP2D6ALDH1A1
SCHEMBL25820080 0.81 CYP2D6 (0.56) PPARGPPARACYP2D6KDM4EALDH1A1
SCHEMBL25822184 0.80 MAPK1 (0.46) MTNR1AMTNR1BCYP2D6KDM4EALDH1A1
SCHEMBL13881576 0.79 BCHE (0.42) MTNR1AMTNR1BBCHEPPARGPPARA
SCHEMBL20318730 0.78 PPARA (0.49) BCHEPPARGPPARACYP2D6ALDH1A1
SCHEMBL25821806 0.78 KDM4E (0.56) MTNR1AMTNR1BBCHECYP2D6CHRM2
SCHEMBL13881720 0.77 CHRM2 (0.48) MTNR1AMTNR1BBCHEPPARGPPARA

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 MTNR1A 93/4885MTNR1B 92/4885BCHE 1649/4885

“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.