SCHEMBL22010802

SCHEMBL22010802

CC(C)(C)OC(=O)N1CCC(O)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.43
FUCA1 P04066 2/20 0.42
CCR5 P51681 3/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
STS P08842 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39

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
SCHEMBL22010807 1.00 SLC18A3 (0.43) SLC18A3FUCA1CCR5JAK2JAK1
SCHEMBL22605146 1.00 SLC18A3 (0.43) SLC18A3FUCA1CCR5JAK2JAK1
SCHEMBL6785103 0.86 NR1H2 (0.47) FUCA1JAK2JAK1GPR119STS
SCHEMBL16064467 0.85 CCR5 (0.52) CCR5JAK2JAK1GPR119STS
SCHEMBL18495417 0.85 CCR5 (0.52) CCR5JAK2JAK1GPR119STS
SCHEMBL1984795 0.81 AGTR2 (0.48) CCR5JAK2JAK1GPR119KMT2A
SCHEMBL2381394 0.81 AGTR2 (0.48) CCR5JAK2JAK1GPR119KMT2A
SCHEMBL1983287 0.81 AGTR2 (0.48) CCR5JAK2JAK1GPR119KMT2A
SCHEMBL18599553 0.80 NR1H2 (0.46) CCR5JAK2JAK1GPR119KMT2A
SCHEMBL993829 0.80 CCR5 (0.58) SLC18A3CCR5JAK2JAK1GPR119

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 SLC18A3 2647/4885FUCA1 3761/4885CCR5 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.