SCHEMBL22009743

SCHEMBL22009743

CN(C)C[C@@H]1CCC2CNCC21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 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
SCHEMBL22009741 1.00 CCR5 (0.31) CCR5
SCHEMBL23654554 1.00 CCR5 (0.31) CCR5
SCHEMBL14339554 0.77 CCR5 (0.35) CCR5
SCHEMBL13069213 0.73 CA1 (0.33) CCR5
SCHEMBL9871728 0.72 CCR5 (0.35) CCR5
SCHEMBL19499460 0.72 CCR5 (0.31) CCR5
SCHEMBL18781502 0.72 CCR5 (0.31) CCR5
Hydrochloric Acid SCHEMBL9004807 0.69 MEN1 (0.33) —
Hydrochloric Acid SCHEMBL9004810 0.69 MEN1 (0.33) —
SCHEMBL20556623 0.68 CCR5 (0.35) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601282-B1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2021-07-21 — — EP disclosed
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — US disclosed
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-05-26 — — 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 (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-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 CCR5 86/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU CCR5 120/4885

“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.

Send feedback