SCHEMBL25819695

SCHEMBL25819695

CNCCCc1cccc(OCC2(O)CCCCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
ACHE P22303 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 4/20 0.40
BCHE P06276 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
NSD2 O96028 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL25823995 1.00 CHRM2 (0.45) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL4568831 0.86 PPARA (0.49) CYP2D6PPARGPPARA
SCHEMBL4568758 0.86 PPARA (0.49) CYP2D6PPARGPPARA
SCHEMBL4568753 0.86 PPARA (0.49) CYP2D6PPARGPPARA
SCHEMBL4568985 0.85 PPARA (0.50) CYP2D6PPARGPPARA
SCHEMBL2207427 0.84 TAAR1 (0.40) ACHECYP2D6PPARGPPARA
SCHEMBL2205014 0.84 TAAR1 (0.40) ACHECYP2D6PPARGPPARA
SCHEMBL2206972 0.84 TAAR1 (0.40) ACHECYP2D6PPARGPPARA
SCHEMBL29819256 0.84 TAAR1 (0.40) ACHECYP2D6PPARGPPARA
SCHEMBL15151061 0.82 TAAR1 (0.41) ACHECYP2D6PPARGPPARA

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 CHRM2 2420/4885CHRM1 3108/4885CHRM3 1218/4885

“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.