SCHEMBL20299696

SCHEMBL20299696

O=C(O)[C@@H]1CCC(N(Cc2ccccc2)C(=O)OCc2ccccc2)CN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CCR5 P51681 5/20 0.41
HTR2A P28223 5/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
AGTR2 P50052 1/20 0.39
HSD11B1 P28845 1/20 0.38
ACE P12821 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL20299758 0.87 HSD11B1 (0.48) CCR5HTR2ANPC1RAB9ASMN1; SMN2
SCHEMBL26910204 0.84 CHRM5 (0.44) CHRM2CHRM5CHRM1CHRM3CCR5
SCHEMBL4807302 0.78 PTGDR2 (0.46) CHRM2CHRM5CHRM1CHRM3CCR5
SCHEMBL4807309 0.78 PTGDR2 (0.46) CHRM2CHRM5CHRM1CHRM3CCR5
SCHEMBL17956550 0.76 AGTR2 (0.39) CHRM2CHRM5CHRM1CHRM3NPC1
SCHEMBL20780570 0.75 HTR2A (0.65) HTR2A
SCHEMBL6202628 0.74 HTR2A (0.51) CHRM3HTR2A
SCHEMBL803784 0.74 CCR5 (0.45) CHRM2CHRM5CHRM1CHRM3CCR5
SCHEMBL26966069 0.74 HSD11B1 (0.52) AGTR2HSD11B1
SCHEMBL17956403 0.74 ACE (0.35) CHRM2CHRM5CHRM1CHRM3NPC1

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 CHRM2 3505/4885CHRM5 2907/4885CHRM1 3625/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS CHRM2 3505/4885CHRM5 2907/4885CHRM1 3625/4885

“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.