SCHEMBL4842155

SCHEMBL4842155

C=C[C@H](NCCOC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
ALDH1A1 P00352 7/20 0.42
ADRB2 P07550 1/20 0.39
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
GRM7 Q14831 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL9152402 0.85 HPGD (0.46) HPGDALDH1A1ADRB2MTORRAB9A
SCHEMBL4445401 0.84 MTOR (0.52) ALDH1A1ADRB2MTORRAB9AGRM7
SCHEMBL28174803 0.77 HRH1 (0.41) ALDH1A1MTORRAB9AGRM7LMNA
SCHEMBL10989196 0.77 RAB9A (0.41) ALDH1A1MTORRAB9AGRM7LMNA
SCHEMBL1453093 0.77 ALDH1A1 (0.38) HPGDALDH1A1MTORRAB9AGRM7
Hydrochloric Acid SCHEMBL8952425 0.77 ALDH1A1 (0.50) HPGDALDH1A1MTORRAB9AGRM7
SCHEMBL5361176 0.76 ALDH1A1 (0.37) HPGDALDH1A1MTORRAB9AGRM7
Hydrochloric Acid SCHEMBL22362253 0.76 ALDH1A1 (0.40) HPGDALDH1A1MTORRAB9AGRM7
Hydrochloric Acid SCHEMBL10586766 0.76 HTT (0.38) HPGDALDH1A1CYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL9769539 0.76 CYP3A4 (0.42) ALDH1A1MTORRAB9AGRM7MAPT

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
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-20060183732-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-08-17 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-20060183732-A1 Novel lactams and uses thereof BACE1, BACE2, APP HPGD 1203/4885ALDH1A1 2419/4885ADRB2 3472/4885

“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.