SCHEMBL4884783

SCHEMBL4884783

CN(C)CCCc1ccc(N)c(N)c1N

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
NOS1 P29475 4/20 0.38
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
MPO P05164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL10425891 0.76 TBK1 (0.39) SLC6A4HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL9027471 0.76 TYR (0.43) HTR2A
SCHEMBL14875929 0.76 NOS1 (0.40) SLC6A4NOS1NOS3NOS2MPO
SCHEMBL7971745 0.76 NOS1 (0.40) SLC6A4NOS1NOS3NOS2SIGMAR1
SCHEMBL2170338 0.74 SLC6A4 (0.49) SLC6A4HTR2ASIGMAR1
SCHEMBL5260316 0.74 NOS1 (0.34) SLC6A4NOS1NOS3NOS2
SCHEMBL9444059 0.74 SLC6A4 (0.49) SLC6A4
SCHEMBL26618591 0.73 TAAR1 (0.40) HTR2AHTR2CHTR2BNOS1
SCHEMBL3872243 0.73 NOS1 (0.46) SLC6A4NOS1NOS3NOS2MPO
SCHEMBL5158843 0.72 NOS1 (0.43) SLC6A4NOS1NOS3NOS2MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 SLC6A4 3139/4885HTR2A 3235/4885HTR2C 2980/4885

“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.