SCHEMBL5873570

SCHEMBL5873570

CC(C)(C)NC(=O)OC1CCN(c2ccc3cc(N)ccc3n2)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.41
MCHR1 Q99705 5/20 0.40
ACACB O00763 3/20 0.40
BTK Q06187 1/20 0.39
PDE10A Q9Y233 1/20 0.38
SHMT2 P34897 2/20 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
SCHEMBL27940101 0.82 HRH3 (0.47) ACACB
SCHEMBL28601495 0.81 HRH3 (0.46) MCHR1ACACB
SCHEMBL5873574 0.79 MAP4K4 (0.61) MAP4K4MCHR1BTKPDE10A
SCHEMBL28544434 0.76 BTK (0.41) MAP4K4ACACBBTK
SCHEMBL29265663 0.76 ACACB (0.43) ACACB
SCHEMBL28180992 0.76 LIPG (0.40) ACACB
Hydrochloric Acid SCHEMBL5873525 0.76 MCHR1 (0.73) MCHR1
SCHEMBL27666702 0.73 GFER (0.44)
SCHEMBL29182899 0.73 UGT8 (0.38) ACACB
SCHEMBL28930859 0.73 LMNA (0.39) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 WO 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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R MAP4K4 1963/4885MCHR1 1/4885ACACB 1929/4885

“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.