SCHEMBL25818072

SCHEMBL25818072

CCC(CC)COc1cccc(O[C@@H](C)CNN)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.44
MTNR1B P49286 13/20 0.44
GPBAR1 Q8TDU6 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAOA P21397 1/20 0.39
PTGS1 P23219 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 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
SCHEMBL25822208 1.00 MTNR1A (0.44) MTNR1AMTNR1BGPBAR1CYSLTR1KDM4E
SCHEMBL25818089 0.89 MTNR1A (0.44) MTNR1AMTNR1BGPBAR1CYSLTR1KDM4E
SCHEMBL25822212 0.89 MTNR1A (0.44) MTNR1AMTNR1BGPBAR1CYSLTR1KDM4E
SCHEMBL19291521 0.87 KDM4E (0.49) MTNR1AMTNR1BGPBAR1CYSLTR1KDM4E
SCHEMBL25822210 0.87 KDM4E (0.49) MTNR1AMTNR1BGPBAR1CYSLTR1KDM4E
SCHEMBL4569077 0.86 MTNR1A (0.44) MTNR1AMTNR1BGPBAR1CYSLTR1KDM4E
SCHEMBL4569079 0.86 MTNR1A (0.44) MTNR1AMTNR1BGPBAR1CYSLTR1KDM4E
SCHEMBL4568807 0.85 GPBAR1 (0.52) MTNR1AMTNR1BGPBAR1CYSLTR1HTR1D
SCHEMBL4568788 0.85 GPBAR1 (0.52) MTNR1AMTNR1BGPBAR1CYSLTR1HTR1D
SCHEMBL2206994 0.84 GPBAR1 (0.43) MTNR1AMTNR1BGPBAR1CYSLTR1HTR1D

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 92/4885GPBAR1 305/4885

“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.