SCHEMBL5649671

SCHEMBL5649671

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
DNM1 Q05193 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
TERT O14746 2/20 0.33
GABRR1 P24046 2/20 0.32
NOD1 Q9Y239 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
MMP2 P08253 1/20 0.32

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 SCHEMBL5652754 0.98 FAAH (0.34) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL13356185 0.86 FAAH (0.44) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL15185934 0.84 FAAH (0.47) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL10650213 0.83 ALDH1A1 (0.50) FAAHKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL21887785 0.83 CTSD (0.48) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL24024003 0.83 DPP4 (0.37) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL434916 0.83 ALDH1A1 (0.50) FAAHKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL434917 0.83 ALDH1A1 (0.50) FAAHKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13363685 0.83 FAAH (0.35) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL4780586 0.83 CTSD (0.48) FAAHMEN1KMT2AMAPK1DNM1

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 FAAH 113/4885MEN1 1651/4885KMT2A 1368/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 FAAH 107/4885MEN1 2126/4885KMT2A 1229/4885

“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.