SCHEMBL22010803

SCHEMBL22010803

CC(C)(C)OC(=O)N1CCC(=O)C2CN(Cc3ccccc3)C[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
TACR1 P25103 3/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
CCR5 P51681 1/20 0.39
PARP1 P09874 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
RORC P51449 1/20 0.39
STS P08842 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 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
SCHEMBL22605145 1.00 ACHE (0.43) ACHETACR1NR1H2NR1H3CCR5
SCHEMBL23654053 1.00 ACHE (0.43) ACHETACR1NR1H2NR1H3CCR5
SCHEMBL6785103 0.86 NR1H2 (0.47) ACHENR1H2NR1H3JAK2JAK1
SCHEMBL16064467 0.81 CCR5 (0.52) CCR5JAK2JAK1GPR119STS
SCHEMBL18495417 0.81 CCR5 (0.52) CCR5JAK2JAK1GPR119STS
SCHEMBL2381394 0.79 AGTR2 (0.48) NR1H2NR1H3CCR5JAK2JAK1
SCHEMBL1983287 0.79 AGTR2 (0.48) NR1H2NR1H3CCR5JAK2JAK1
SCHEMBL1984795 0.79 AGTR2 (0.48) NR1H2NR1H3CCR5JAK2JAK1
SCHEMBL22010802 0.78 SLC18A3 (0.43) NR1H2NR1H3CCR5JAK2JAK1
SCHEMBL22605146 0.78 SLC18A3 (0.43) NR1H2NR1H3CCR5JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU ACHE 1155/4885TACR1 152/4885NR1H2 2258/4885

“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.