SCHEMBL25827460

SCHEMBL25827460

CC[C@@H]1C=C(C2=C[C@@H](CC)N(C(=O)OCc3ccccc3)C2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PREP P48147 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 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
SCHEMBL5764841 0.82 PSEN1 (0.44) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL5764834 0.82 PSEN1 (0.44) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL25827425 0.79 PDK1 (0.42) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL5764346 0.78 PSEN1 (0.41) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL5764352 0.78 PSEN1 (0.41) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL5517077 0.75 HTR2C (0.64) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL10053573 0.75 HTR2C (0.64) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL5517082 0.75 HTR2C (0.64) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL21538530 0.75 SMN1; SMN2 (0.55) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5766697 0.75 NPC1 (0.48) HTR2CPSEN1PSEN2APH1BNCSTN

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 HTR2C 2717/4885PSEN1 2782/4885PSEN2 1891/4885

“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.