SCHEMBL6452709

SCHEMBL6452709

C=[C]C1COc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.42
SIGMAR1 Q99720 2/20 0.39
HTR1A P08908 1/20 0.38
OXTR P30559 1/20 0.36
MAOB P27338 3/20 0.36
TP53 P04637 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL97626 0.81 NISCH (0.42) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL10248424 0.81 NISCH (0.42) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL6448469 0.75 NISCH (0.49) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL10754929 0.71 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL2732387 0.71 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL24214452 0.71 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL7587627 0.71 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL18286810 0.71 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL25082548 0.71 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL14395682 0.71 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB

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 NISCH 4089/4885SIGMAR1 4151/4885HTR1A 1556/4885

“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.