SCHEMBL7931377

SCHEMBL7931377

Cc1cn(CCC2CCNCC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
BRD4 O60885 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
QPCT Q16769 3/20 0.35
HTR4 Q13639 1/20 0.35
MERTK Q12866 1/20 0.35
GNAO1 P09471 1/20 0.35
ALPL P05186 2/20 0.35
PLAA Q9Y263 1/20 0.35
CPB1 P15086 1/20 0.34
CPB2 Q96IY4 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ALPG P10696 1/20 0.34
NPY1R P25929 1/20 0.34
NMT1 P30419 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
SCHEMBL6173659 0.91 HRH3 (0.39) SLC6A4BRD4HRH3QPCTGNAO1
SCHEMBL22302587 0.84 HRH3 (0.43) KDM4CHRH3QPCTALPLPLAA
SCHEMBL27570031 0.83 KDM4C (0.36) SLC6A4KDM4CHRH3CPB1CPB2
SCHEMBL27550395 0.83 KDM4C (0.39) SLC6A4KDM4CHRH3HTR4MERTK
SCHEMBL22180868 0.80 KDM4C (0.38) KDM4CQPCTALPLPLAACPB1
SCHEMBL13681754 0.77 PHF8 (0.37) SLC6A4BRD4HRH3TLR7
SCHEMBL24103971 0.75 MAPT (0.35) KDM4CQPCTALPLPLAACPB1
SCHEMBL7837812 0.74 HRH3 (0.40) HRH3QPCTNPY1R
SCHEMBL7837811 0.74 HRH3 (0.40) HRH3QPCTNPY1R
SCHEMBL8543711 0.73 LMNA (0.39) SLC6A4BRD4HRH3QPCTMERTK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251172-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2011-10-13 US disclosed
US-20110251172-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2011-10-13 US disclosed
WO-2010019392-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed
EP-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 EP disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 WO 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-20110251172-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, APP, PSEN1 SLC6A4 601/4885BRD4 2840/4885KDM4C 2978/4885

“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.