SCHEMBL6442796

SCHEMBL6442796

CC(C)C(NC(=O)CNC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTSS P25774 6/20 0.44
CAPN1 P07384 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6442801 1.00 HTT (0.50) HTTPKMSMN1; SMN2CTSSCAPN1
SCHEMBL5839241 0.84 SMN1; SMN2 (0.64) HTTPKMSMN1; SMN2CTSSNPSR1
SCHEMBL6445944 0.84 SMN1; SMN2 (0.64) HTTPKMSMN1; SMN2CTSSNPSR1
SCHEMBL6448464 0.77 SMN1; SMN2 (0.51) HTTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL6448460 0.77 SMN1; SMN2 (0.51) HTTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL6857049 0.75 HTT (0.42) HTTPKMSMN1; SMN2CTSSCAPN1
Valine SCHEMBL6447749 0.75 HTT (0.50) HTTPKMSMN1; SMN2CTSSNPC1
SCHEMBL6442995 0.74 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL6442998 0.74 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AALDH1A1MEN1KMT2A
SCHEMBL6444661 0.73 HTT (0.63) HTTPKMSMN1; SMN2CTSSNPSR1

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
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-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 55/4885PKM 2587/4885SMN1; SMN2 1200/4885

“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.