SCHEMBL20906245

SCHEMBL20906245

CCN(CC)C(C)C(N)CO

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 0.34
TSHR P16473 1/20 0.32
FDPS P14324 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10875775 0.79
SCHEMBL7106575 0.77 ALDH1A1 (0.38)
SCHEMBL7104570 0.74
SCHEMBL9430761 0.73 FDPS (0.31) FDPS
SCHEMBL28114213 0.72 TDP1 (0.38) LMNAKDM4ETSHRFDPSTDP1
SCHEMBL2567591 0.71 FDPS (0.36) FDPS
SCHEMBL3848945 0.70
L-Alaninol SCHEMBL8676298 0.68
L-Alaninol SCHEMBL2804901 0.67 TSHR (0.54) CYP2D6SPHK1GMNNLMNAPOLB
L-Alaninol SCHEMBL1331749 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3476851-A1 POLYCYCLIC AMINOSILANE COMPOUNDS AND MAKING METHOD Shin-Etsu Chemical Co., Ltd. (JP) 2019-05-01 EP disclosed
US-20190119308-A1 POLYCYCLIC AMINOSILANE COMPOUNDS AND MAKING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-25 US disclosed
US-10266555-B1 Polycyclic aminosilane compounds and making method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-23 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 (2 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-20190119308-A1 POLYCYCLIC AMINOSILANE COMPOUNDS AND MAKING METHOD PNMT, BCAT1, PCMT1 CYP2D6 4835/4885SPHK1 3655/4885GMNN 275/4885
US-10266555-B1 Polycyclic aminosilane compounds and making method PNMT, BCAT1, PCMT1 CYP2D6 4835/4885SPHK1 3655/4885GMNN 275/4885

“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.