SCHEMBL5648274

SCHEMBL5648274

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TERT O14746 8/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
DNM1 Q05193 2/20 0.33
FAAH O00519 3/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
UTS2R Q9UKP6 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 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 SCHEMBL4666324 0.98 TERT (0.36) TERTCA12CA1CA9ALDH1A1
SCHEMBL26731232 0.82 ALDH1A1 (0.47) TERTALDH1A1MAPTFAAHKMT2A
SCHEMBL26731224 0.82 ALDH1A1 (0.47) TERTALDH1A1MAPTFAAHKMT2A
SCHEMBL5646174 0.80 ACACB (0.35) CA12CA1CA9MAPTMEN1
SCHEMBL7132152 0.79 MEN1 (0.50) TERTALDH1A1DNM1FAAHMEN1
Hydrochloric Acid SCHEMBL5851711 0.78 ACACB (0.34) CA12CA1CA9ALDH1A1MAPT
SCHEMBL24024003 0.78 DPP4 (0.37) CA12CA1CA9ALDH1A1MAPT
SCHEMBL13363685 0.78 FAAH (0.35) CA12CA1CA9ALDH1A1MAPT
SCHEMBL21887785 0.78 CTSD (0.48) CA12CA1CA9ALDH1A1MAPT
SCHEMBL4780586 0.78 CTSD (0.48) CA12CA1CA9ALDH1A1MAPT

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 9 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
EP-1395551-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP claimed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 US claimed
WO-2002098849-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES ELAN PHARMACEUTICALS, INC. (US) 2002-12-12 WO 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
EP-1395551-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP disclosed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 US disclosed
WO-2002098849-A2 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER’S DISEASE AND SIMILAR DISEASES ELAN PHARMACEUTICALS, INC. (US) 2002-12-12 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 (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 TERT 1385/4885CA12 4276/4885CA1 2214/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 TERT 1208/4885CA12 4191/4885CA1 2672/4885

“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.