SCHEMBL20685653

SCHEMBL20685653

CCC[C@@H]1C[C@H](CN)CN1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.38
GBA1 P04062 1/20 0.31

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
SCHEMBL23167577 1.00 GLB1 (0.38) GLB1GBA1
SCHEMBL23165638 1.00 GLB1 (0.38) GLB1GBA1
SCHEMBL23167590 1.00 GLB1 (0.38) GLB1GBA1
SCHEMBL4373139 0.83 GLB1 (0.34) GLB1GBA1
SCHEMBL15601207 0.83
SCHEMBL20615406 0.83
SCHEMBL20615408 0.83
SCHEMBL18583340 0.83
SCHEMBL15533438 0.83 GLB1 (0.40) GLB1GBA1
SCHEMBL6401642 0.81 GLB1 (0.39) GLB1GBA1

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-20210137881-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-05-13 US disclosed
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 US disclosed
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 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 (5 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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 GLB1 1592/4885GBA1 261/4885
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 GLB1 393/4885GBA1 298/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 GLB1 557/4885GBA1 2785/4885
US-20210137881-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 GLB1 144/4885GBA1 471/4885
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 GLB1 196/4885GBA1 539/4885

“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.