SCHEMBL4665010

SCHEMBL4665010

CC(N)(C(N)=O)C(=O)OCc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.46
CYP19A1 P11511 1/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 2/20 0.46
RECQL P46063 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
FAAH O00519 1/20 0.42
RIPK1 Q13546 1/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL4665006 1.00 CYP17A1 (0.46) CYP17A1CYP19A1LMNAKMT2ATDP1
SCHEMBL4664410 1.00 CYP17A1 (0.46) CYP17A1CYP19A1LMNAKMT2ATDP1
Hydrochloric Acid SCHEMBL4666399 0.99 CYP17A1 (0.45) CYP17A1CYP19A1LMNAKMT2ATDP1
Hydrochloric Acid SCHEMBL4667959 0.99 CYP17A1 (0.45) CYP17A1CYP19A1LMNAKMT2ATDP1
Hydrochloric Acid SCHEMBL4666403 0.99 CYP17A1 (0.45) CYP17A1CYP19A1LMNAKMT2ATDP1
SCHEMBL3147948 0.84 KMT2A (0.51) CYP17A1CYP19A1LMNAKMT2ATDP1
SCHEMBL4666303 0.82 CYP19A1 (0.41) CYP17A1CYP19A1LMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL4664971 0.81 CYP19A1 (0.40) CYP17A1CYP19A1LMNAKMT2AMAPT
SCHEMBL3955156 0.80 LMNA (0.48) CYP17A1CYP19A1LMNAKMT2ATDP1
SCHEMBL12934601 0.80 RIPK1 (0.57) CYP17A1CYP19A1LMNAKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395551-B1 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES ELAN PHARM INC (US) 2008-05-21 EP claimed
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
EP-1395551-B1 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES ELAN PHARM INC (US) 2008-05-21 EP disclosed
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 CYP17A1 243/4885CYP19A1 119/4885LMNA 549/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 CYP17A1 267/4885CYP19A1 174/4885LMNA 507/4885

“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.