SCHEMBL1759547

SCHEMBL1759547

[CH2]C(O)COc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
CACNA1G O43497 2/20 0.42
KCNH2 Q12809 1/20 0.42
MAOB P27338 3/20 0.41
AOC2 O75106 1/20 0.41
DAO P14920 1/20 0.41
MAOA P21397 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL19026295 0.83 TSHR (0.47) TSHRNPC1CACNA1GKCNH2MAOB
SCHEMBL27841646 0.81 TSHR (0.46) TSHRNPC1CACNA1GKCNH2MAOB
SCHEMBL11023506 0.80 TSHR (0.50) TSHRNPC1CACNA1GKCNH2MEN1
SCHEMBL11612984 0.80 TSHR (0.50) TSHRNPC1CACNA1GKCNH2MEN1
SCHEMBL1840653 0.79 LMNA (0.64) TSHRNPC1CACNA1GKCNH2MEN1
SCHEMBL1759561 0.79 CYP2C9 (0.56) TSHRMEN1KMT2AMAPT
SCHEMBL1835550 0.79 LMNA (0.64) TSHRNPC1CACNA1GKCNH2MEN1
SCHEMBL8479002 0.79 TDP1 (0.48) TSHRNPC1MAOBMAOAAPP
SCHEMBL6273026 0.79 LMNA (0.64) TSHRNPC1CACNA1GKCNH2MEN1
SCHEMBL8747584 0.79 CYP1A2 (0.53) TSHRNPC1CACNA1GKCNH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666757-A1 PROCESS FOR PREPARING A PIPERIDIN-4-ONE Karl-Franzens-Universität Graz (AT) 2020-06-17 EP claimed
EP-3666757-A1 PROCESS FOR PREPARING A PIPERIDIN-4-ONE Karl-Franzens-Universität Graz (AT) 2020-06-17 EP disclosed
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
CN-102812011-A [1,5] -diazacyclo-octatetraene derivative MELLITECH 2012-12-05 CN disclosed
EP-2501685-A1 [1,5]-DIAZOCIN DERIVATIVES Mellitech (FR) 2012-09-26 EP disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US disclosed
WO-2011058193-A1 [1,5]-DIAZOCIN DERIVATIVES MELLITECH (FR) 2011-05-19 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-20120225892-A1 [1,5]-Diazocin Derivatives IAPP, INSR, GLP1R TSHR 2640/4885NPC1 510/4885CACNA1G 1902/4885

“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.