SCHEMBL6444661

SCHEMBL6444661

O=C(O)CNC(=O)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.63
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSS P25774 2/20 0.42
RBP4 P02753 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
Valine SCHEMBL6447749 0.83 HTT (0.50) HTTSMN1; SMN2PKMMEN1KMT2A
SCHEMBL24664607 0.81 KMT2A (0.46) HTTKMT2AGAARBP4
SCHEMBL4607651 0.81 KMT2A (0.46) HTTKMT2AGAAMAPTNPSR1
SCHEMBL14398681 0.81 MAPT (0.54) HTTHSD17B10MAPTNPSR1
SCHEMBL6467994 0.81 HTT (0.60) HTTCYP2C9CYP2C19SMN1; SMN2PKM
SCHEMBL7338141 0.79 KMT2A (0.45) HTTSMN1; SMN2KMT2AGAARBP4
SCHEMBL27570688 0.79 HTT (0.68) HTTCYP2C9CYP2C19SMN1; SMN2PKM
SCHEMBL17028378 0.78 HTT (0.62) HTTCYP2C9CYP2C19SMN1; SMN2PKM
SCHEMBL1233491 0.78 HTT (0.66) HTTCYP2C9CYP2C19SMN1; SMN2PKM
SCHEMBL47346 0.78 HTT (0.66) HTTCYP2C9CYP2C19SMN1; SMN2PKM

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 8 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
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO 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-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 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 HTT 55/4885CYP2C9 1231/4885CYP2C19 1268/4885

“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.