SCHEMBL21689989

SCHEMBL21689989

N[C@@H](Cc1ccc(C(=O)Nc2cccnc2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.64
NAMPT P43490 8/20 0.62
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
CYP11B1 P15538 3/20 0.58
CYP11B2 P19099 3/20 0.58

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
SCHEMBL5607137 0.88 RAB9A (0.64) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL5607141 0.88 RAB9A (0.64) NAMPTNPC1RAB9ALMNAGAA
SCHEMBL21690098 0.85 SLC7A5 (0.62) TRPV1NPC1RAB9A
SCHEMBL21689924 0.85 ALDH1A1 (0.59) TRPV1NPC1RAB9A
SCHEMBL27573484 0.82 GAA (0.61) NAMPTLMNAGAA
SCHEMBL27573485 0.82 GAA (0.61) NAMPTLMNAGAA
SCHEMBL12077252 0.81 TRPV1 (0.74) TRPV1NAMPTNPC1RAB9ALMNA
Bromide SCHEMBL12077366 0.80 TRPV1 (0.72) TRPV1NAMPTNPC1RAB9ALMNA
SCHEMBL7769029 0.80 ITGB3 (0.67) NPC1RAB9A
SCHEMBL757263 0.80 ITGB3 (0.67) NPC1RAB9A

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
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
WO-2021067439-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-08 WO disclosed
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-04-01 US disclosed
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 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 (4 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR TRPV1 3812/4885NAMPT 565/4885NPC1 1613/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR TRPV1 3812/4885NAMPT 565/4885NPC1 1613/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR TRPV1 3812/4885NAMPT 565/4885NPC1 1613/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR TRPV1 3812/4885NAMPT 565/4885NPC1 1613/4885

“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.