SCHEMBL683883

SCHEMBL683883

CCCN(CCC)CCCCn1c(CC)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.55
TSHR P16473 11/20 0.55
HSD17B10 Q99714 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
LMNA P02545 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GLA P06280 1/20 0.54
RECQL P46063 3/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
TP53 P04637 3/20 0.51
MAPK1 P28482 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALOX15 P16050 1/20 0.51
NR2F2 P24468 1/20 0.50
USP2 O75604 2/20 0.49

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
SCHEMBL683882 0.96 TSHR (0.56) HTTTSHRHSD17B10L3MBTL1GAA
Hydrochloric Acid SCHEMBL11380912 0.95 TSHR (0.55) HTTTSHRHSD17B10L3MBTL1GAA
SCHEMBL682754 0.95 HTT (0.58) HTTTSHRHSD17B10L3MBTL1GAA
SCHEMBL683576 0.91 TSHR (0.58) HTTTSHRHSD17B10L3MBTL1GAA
Hydrochloric Acid SCHEMBL11381131 0.90 TSHR (0.57) HTTTSHRHSD17B10L3MBTL1GAA
SCHEMBL683535 0.87 TSHR (0.56) HTTTSHRHSD17B10L3MBTL1GAA
SCHEMBL683958 0.87 TSHR (0.54) HTTTSHRHSD17B10L3MBTL1GAA
Hydrochloric Acid SCHEMBL11382033 0.86 TSHR (0.53) HTTTSHRHSD17B10L3MBTL1GAA
Hydrochloric Acid SCHEMBL11380152 0.86 TSHR (0.55) HTTTSHRHSD17B10L3MBTL1GAA
SCHEMBL684263 0.86 RECQL (0.53) HTTTSHRHSD17B10L3MBTL1GAA

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-4299832-A Substituted theophylline compounds FISONS LIMITED (GB) 1981-11-10 US claimed
EP-0011399-A1 N-substituted theophyllines, processes for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1980-05-28 EP claimed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-4299832-A Substituted theophylline compounds FISONS LIMITED (GB) 1981-11-10 US disclosed
EP-0011399-A1 N-substituted theophyllines, processes for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1980-05-28 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF HTT 751/4885TSHR 1873/4885HSD17B10 2865/4885

“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.