SCHEMBL683887

SCHEMBL683887

CCc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCN(C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
TSHR P16473 11/20 0.51
ALDH1A1 P00352 9/20 0.51
HSD17B10 Q99714 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
GLA P06280 1/20 0.51
RECQL P46063 3/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
TP53 P04637 3/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
NR2F2 P24468 1/20 0.47
USP2 O75604 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL684264 0.96 TSHR (0.50) HTTTSHRALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL11388636 0.95 TSHR (0.49) HTTTSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL683535 0.87 TSHR (0.56) HTTTSHRALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL11380152 0.86 TSHR (0.55) HTTTSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL682754 0.85 HTT (0.58) HTTTSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL683883 0.85 HTT (0.55) HTTTSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL684262 0.83 TSHR (0.54) HTTTSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL683958 0.82 TSHR (0.54) HTTTSHRALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL11384933 0.82 SMN1; SMN2 (0.55) HTTTSHRALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL11382033 0.81 TSHR (0.53) HTTTSHRALDH1A1HSD17B10SMN1; SMN2

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 1873/4885ALDH1A1 1565/4885

“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.