SCHEMBL6446438

SCHEMBL6446438

CC(OC(=O)N[C@H](C(=O)O)C(C)C)C1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A3 Q01959 6/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 3/20 0.40
DHFR P00374 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8709229 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2SLC6A3SLC6A2SLC6A4
SCHEMBL6710932 0.96 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2SLC6A3SLC6A2SLC6A4
SCHEMBL6710934 0.96 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2SLC6A3SLC6A2SLC6A4
SCHEMBL6709446 0.75 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL6443600 0.75 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL27488208 0.75 SLC6A3 (0.45) ALDH1A1SLC6A3SLC6A2SLC6A4DHFR
Hydrochloric Acid SCHEMBL7423286 0.73 SLC6A3 (0.44) ALDH1A1SLC6A3SLC6A2SLC6A4LMNA
SCHEMBL9830051 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHR
SCHEMBL9830054 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHR
SCHEMBL27861451 0.71 SLC6A3 (0.40) ALDH1A1SLC6A3SLC6A2SLC6A4DHFR

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 ALDH1A1 889/4885SMN1; SMN2 1200/4885SLC6A3 2867/4885

“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.