SCHEMBL5646174

SCHEMBL5646174

C[C@@H](NC(=O)CN(C)C)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CTSK P43235 1/20 0.30
ECE1 P42892 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
Hydrochloric Acid SCHEMBL5851711 0.98 ACACB (0.34) ACACBMAPTMEN1TSHRKMT2A
SCHEMBL5648274 0.80 TERT (0.37) MAPTMEN1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL4666324 0.79 TERT (0.36) MAPTMEN1KMT2ACA12CA1
SCHEMBL22383958 0.78 ALDH1A1 (0.39) ECE1
SCHEMBL22062457 0.78 ALDH1A1 (0.39) ECE1
SCHEMBL7725268 0.78 MEN1 (0.43) ACACBMAPTMEN1TSHRKMT2A
SCHEMBL16330362 0.76 TGFBR1 (0.37) ACACBMAPTCA12CA1CA9
SCHEMBL5647312 0.76 CTSC (0.38) ACACBMEN1TSHRKMT2ACA12
SCHEMBL14813124 0.76 ACACB (0.40) ACACBMAPTMEN1KMT2ACTSK
SCHEMBL1905479 0.76 CYP2C9 (0.46) ACACBMAPTMEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 US claimed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 US claimed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US disclosed
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 US disclosed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 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-20030166717-A1 Hydroxy alkyl amines PSEN1, MAOA, PSEN2 ACACB 788/4885MAPT 112/4885MEN1 1651/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 ACACB 626/4885MAPT 91/4885MEN1 2126/4885

“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.