SCHEMBL6444973

SCHEMBL6444973

[CH2]C(CCCN(C)C)Oc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.60
SLC6A4 P31645 5/20 0.43
SLC6A2 P23975 4/20 0.43
HTR1D P28221 3/20 0.43
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CACNA2D1 P54289 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
SCHEMBL28386012 0.84 HTR1B (0.48) HTR1BSLC6A4SLC6A2HTR1D
SCHEMBL6447973 0.81 HTR1B (0.57) HTR1BSLC6A4SLC6A2HTR1DHTR2A
SCHEMBL8536438 0.80 SLC6A4 (0.48) HTR1BSLC6A4SLC6A2HTR1DKDM4E
SCHEMBL6447975 0.80 HTR1B (0.56) HTR1BSLC6A4SLC6A2HTR1DHTR2A
SCHEMBL8540012 0.77 SLC6A4 (0.47) HTR1BSLC6A4SLC6A2HTR1DKDM4E
SCHEMBL15501176 0.75 HTR1B (1.00) HTR1BSLC6A4HTR1DHRH1KDM4E
SCHEMBL9995405 0.74 SLC6A4 (0.67) HTR1BSLC6A4SLC6A2CACNA2D1
SCHEMBL7275543 0.74 HTR1B (1.00) HTR1BSLC6A4HTR1DHRH1KDM4E
SCHEMBL2599841 0.74 HTR1B (0.52) HTR1BSLC6A4SLC6A2HTR1DKDM4E
SCHEMBL27808855 0.74 HTR1B (0.50) HTR1BSLC6A4SLC6A2HTR1DKDM4E

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 6 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-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 HTR1B 760/4885SLC6A4 2808/4885SLC6A2 1965/4885

“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.