SCHEMBL3495680

SCHEMBL3495680

CN(C)CCOc1ccc(N2C(=O)CC3CCC(CC2=O)O3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ALDH1A1 P00352 8/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 4/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCHR1 Q99705 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 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
SCHEMBL13311673 0.79 CACNA1B (0.44) ALDH1A1MAPTGAALMNAHSD17B10
SCHEMBL3496229 0.70 KMT2A (0.53) ALDH1A1MAPTGAAHPGDL3MBTL1
SCHEMBL6081681 0.68 HTR2A (0.47) CYP1A2CYP2D6CYP2C9CYP2C19MCHR1
SCHEMBL1727554 0.68 MCHR1 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19MCHR1
SCHEMBL1729072 0.66 MCHR1 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19MCHR1
SCHEMBL1728688 0.66 LSS (0.48) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1728662 0.66 MCHR1 (0.47) MAPTRAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL4142508 0.65 HRH3 (0.64) CYP1A2CYP2D6CYP2C9CYP2C19HRH3
SCHEMBL1728609 0.65 MCHR1 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL1729124 0.65 LSS (0.47) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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-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 THRB 462/4885ALDH1A1 3457/4885MAPT 1965/4885

“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.