SCHEMBL25824658

SCHEMBL25824658

CCC(CC)CNc1cccc(N[C@H](C)CN)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SYK P43405 2/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32

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
SCHEMBL25824667 1.00 CYP3A4 (0.38) CYP3A4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL25824669 0.88 TSHR (0.36) CYP3A4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL25824662 0.88 TSHR (0.36) CYP3A4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL25824636 0.80 CYP1A2 (0.42) CYP3A4ALDH1A1TSHRHSD17B10SYK
SCHEMBL29922565 0.76 MAPT (0.44) CYP3A4ALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL21799640 0.76 MAPT (0.44) CYP3A4ALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL2963582 0.74 ALDH1A1 (0.67) CYP3A4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL21942318 0.74 HDAC4 (0.34) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL16487357 0.72 ATG4B (0.33) CYP3A4ALDH1A1L3MBTL1ALOX15TSHR
SCHEMBL14222748 0.72 MAPT (0.43) ALDH1A1L3MBTL1SMN1; SMN2TDP1MAPT

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 CYP3A4 3598/4885ALDH1A1 133/4885L3MBTL1 2438/4885

“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.