SCHEMBL1300971

SCHEMBL1300971

c1ccc(N2CC3(CCCCC3)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
P2RY1 P47900 4/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AKT1 P31749 5/20 0.38
SIGMAR1 Q99720 4/20 0.37
SLC18A3 Q16572 1/20 0.37
SLC6A2 P23975 4/20 0.36
HTR7 P34969 3/20 0.36
HTR2B P41595 3/20 0.36
TMEM97 Q5BJF2 3/20 0.36
HTR1A P08908 2/20 0.36
FFAR1 O14842 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 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
SCHEMBL11092552 0.83 AKT1 (0.53) NOTUMP2RY1AKT1SIGMAR1SLC6A2
SCHEMBL15791525 0.82 NOTUM (0.36) NOTUMP2RY1HDAC1HDAC8HDAC6
SCHEMBL11089304 0.82 AKT1 (0.53) NOTUMP2RY1HDAC1HDAC6AKT1
SCHEMBL13518553 0.82 AKT1 (0.39) NOTUMP2RY1HDAC1HDAC6AKT1
SCHEMBL26253775 0.80 NOTUM (0.48) NOTUMP2RY1HDAC1HDAC8HDAC6
SCHEMBL11086598 0.79 OTUD7B (0.39) NOTUMAKT1SIGMAR1SLC18A3SLC6A2
SCHEMBL11090588 0.77 SIGMAR1 (0.55) P2RY1HDAC1HDAC8HDAC6SIGMAR1
SCHEMBL29948572 0.77 SLC18A3 (0.56) NOTUMP2RY1HDAC1HDAC8HDAC6
SCHEMBL14685818 0.77 SLC18A3 (0.56) NOTUMP2RY1HDAC1HDAC8HDAC6
SCHEMBL11090016 0.76 SIGMAR1 (0.48) HDAC1HDAC8HDAC6SIGMAR1SLC18A3

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-20230287011-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-14 US disclosed
US-20230276696-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2023-08-31 US disclosed
EP-2385947-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2011-11-16 EP disclosed
US-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2011-11-03 US disclosed
WO-2010079114-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2010-07-15 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 (3 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-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS TTN, CCNI, TPH1 NOTUM 2275/4885P2RY1 1485/4885HDAC1 1763/4885
US-20230287011-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OXGR1, OCIAD1 NOTUM 3496/4885P2RY1 2890/4885HDAC1 1928/4885
US-20230276696-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, PORCN NOTUM 1392/4885P2RY1 900/4885HDAC1 2341/4885

“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.