SCHEMBL3606495

SCHEMBL3606495

CCN(CC)C(=O)c1ccc(CCN)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.54
MLYCD O95822 1/20 0.53
LMNA P02545 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HSP90AA1 P07900 3/20 0.47
HSP90AB1 P08238 3/20 0.47
CYP1A2 P05177 1/20 0.47
BLM P54132 1/20 0.47
HTR2A P28223 1/20 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
SCHEMBL3563407 0.85 ESR1 (0.58) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL19634392 0.85 HPGD (0.58) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL5703500 0.82 HPGD (0.73) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL23840719 0.81 ALDH1A1 (0.50) HPGDALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3559829 0.81 HPGD (0.61) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL3081053 0.81 HPGD (0.61) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL3185726 0.81 THRA (0.61) ALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5522260 0.81 HPGD (0.53) HPGDALDH1A1MAPTMLYCDLMNA
SCHEMBL2399439 0.81 THRA (0.61) ALDH1A1MAPTMEN1KMT2A
SCHEMBL9761148 0.81 CYP4A11 (0.58) HPGDALDH1A1MAPTMLYCDLMNA

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-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
EP-2121703-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080114041-A1 Benzothiazolesulfonamides ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 US disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 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 (2 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-20080051405-A1 Therapeutic Agents GPR119, HTT, IAPP HPGD 947/4885ALDH1A1 2426/4885MAPT 51/4885
US-20080114041-A1 Benzothiazolesulfonamides SULT1E1, TST, SULT1A1 HPGD 1631/4885ALDH1A1 382/4885MAPT 1294/4885

“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.