SCHEMBL20299652

SCHEMBL20299652

COC(=O)C1CCNCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.52
PREP P48147 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2C P28335 1/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CTSK P43235 1/20 0.47
GFER P55789 1/20 0.47
CTRB1 P17538 1/20 0.47

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
SCHEMBL6487292 0.89 HTR2C (0.52) FKBP1APREPNPSR1ALDH1A1NPC1
SCHEMBL3017853 0.89 HTR2C (0.52) FKBP1APREPNPSR1ALDH1A1NPC1
SCHEMBL6501753 0.89 HTR2C (0.52) FKBP1APREPNPSR1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7013165 0.88 HTR2C (0.51) FKBP1APREPNPSR1ALDH1A1NPC1
SCHEMBL1056362 0.88 PREP (0.60) FKBP1APREPNPSR1ALDH1A1NPC1
SCHEMBL2769697 0.88 PREP (0.60) FKBP1APREPNPSR1ALDH1A1NPC1
SCHEMBL4724457 0.85 PREP (0.67) FKBP1APREPNPSR1ALDH1A1TP53
SCHEMBL630112 0.85 PREP (0.67) FKBP1APREPNPSR1ALDH1A1TP53
SCHEMBL5525089 0.85 PREP (0.67) FKBP1APREPNPSR1ALDH1A1TP53
SCHEMBL3578099 0.84 FKBP1A (0.71) FKBP1APREPNPSR1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558980-B1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C N C C S S C A R L COLLEZIONE NAZ DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2021-01-27 EP disclosed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US disclosed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 US disclosed
EP-3558980-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2019-10-30 EP disclosed
WO-2018115275-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION IRBM SCIENCE PARK S.P.A. (IT) 2018-06-28 WO 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-10815222-B2 Compounds for use in the treatment of kinetoplastid infection NISCH, TK2, FDPS FKBP1A 2579/4885PREP 955/4885NPSR1 3126/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS FKBP1A 2579/4885PREP 955/4885NPSR1 3126/4885

“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.