SCHEMBL16633564

SCHEMBL16633564

CC(C)(C)N(C(=O)O)C1CCN(C2CNC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL5901388 0.93
SCHEMBL1306189 0.87 ALDH1A1 (0.35) CCR5MEN1ALDH1A1KMT2A
SCHEMBL988772 0.84 ALDH1A1 (0.39) CCR5MEN1ALDH1A1KMT2A
SCHEMBL1306995 0.84 ALDH1A1 (0.42) MEN1ALDH1A1KMT2A
SCHEMBL28851402 0.81 HTR2A (0.31) MEN1ALDH1A1KMT2A
SCHEMBL4939731 0.80 HRH3 (0.37) ALDH1A1
SCHEMBL5073333 0.79 CCR5 (0.34) CCR5MEN1ALDH1A1KMT2A
SCHEMBL5901394 0.78
SCHEMBL1864563 0.78 PARP1 (0.33) CCR5MEN1ALDH1A1KMT2A
SCHEMBL600511 0.78 ACACB (0.32) CCR5MEN1ALDH1A1KMT2A

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
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 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-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 CCR5 319/4885MEN1 4137/4885ALDH1A1 4592/4885

“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.