SCHEMBL25827457

SCHEMBL25827457

CC[C@@H]1CC(=O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
HTR2C P28335 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ELANE P08246 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL21326064 0.87 PARP1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21751143 0.87 PARP1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31114244 0.85 HTR2C (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14209521 0.85 HTR2C (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25344606 0.81 SMN1; SMN2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL636520 0.81 SMN1; SMN2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4847560 0.81 SMN1; SMN2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8863381 0.81 NPSR1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8293214 0.81 NPSR1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18220637 0.81 HTR2C (0.49) PSEN1PSEN2APH1BNCSTNAPH1A

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-20230203081-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-29 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-20230203081-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF NPEPPS, TLR7, ASNS PSEN1 2782/4885PSEN2 1891/4885APH1B 1706/4885

“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.