SCHEMBL13311673

SCHEMBL13311673

CN(C)CCOc1ccc(N2C(=O)C3C(C2=O)[C@H]2CC[C@@H]3O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.44
APBA1 Q02410 2/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
MCHR1 Q99705 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL13311684 0.79 L3MBTL1 (0.55) ALDH1A1GAAL3MBTL1SMN1; SMN2MAPT
SCHEMBL3495680 0.79 THRB (0.45) ALDH1A1GAACYP1A2CYP2D6CYP2C9
SCHEMBL13955065 0.73 SMN1; SMN2 (0.51) ALDH1A1L3MBTL1HTTLMNASMN1; SMN2
SCHEMBL3493827 0.71 HSD17B10 (0.56) ALDH1A1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL3183605 0.71 L3MBTL1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2MAPTATM
SCHEMBL3493956 0.71 ALOX15 (0.56) CACNA1BAPBA1ALDH1A1L3MBTL1HTT
SCHEMBL3183615 0.71 L3MBTL1 (0.50) ALDH1A1L3MBTL1SMN1; SMN2MAPTATM
SCHEMBL6081681 0.71 HTR2A (0.47) CYP1A2CYP2D6CYP2C9CYP2C19HRH3
SCHEMBL3495788 0.71 MEN1 (0.65) CACNA1BAPBA1ALDH1A1GAACYP2C9
SCHEMBL15836588 0.71 MEN1 (0.65) CACNA1BAPBA1ALDH1A1GAACYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 US disclosed
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 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-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS PPP1R10, TASP1, PPP5C CACNA1B 2367/4885APBA1 3561/4885ALDH1A1 3457/4885

“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.