SCHEMBL3083003

SCHEMBL3083003

[CH2]Cc1c[nH]c2cc(C)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.65
PCSK9 Q8NBP7 1/20 0.52
HTR1D P28221 2/20 0.47
NR3C1 P04150 2/20 0.46
NR4A2 P43354 1/20 0.45
GPR84 Q9NQS5 2/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
FTO Q9C0B1 1/20 0.44
NR3C2 P08235 1/20 0.43
SLC6A4 P31645 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL29005983 0.85 HTR2A (0.69) HTR2APCSK9HTR1DNR3C1NR4A2
SCHEMBL12233833 0.83 HTR2A (0.67) HTR2APCSK9HTR1DNR3C1NR4A2
SCHEMBL14350588 0.81 HTR2A (0.65) HTR2APCSK9HTR1DNR3C1NR4A2
SCHEMBL3280703 0.81 HTR2A (0.75) HTR2APCSK9HTR1DNR3C1NR4A2
SCHEMBL4612891 0.81 HTR2A (0.65) HTR2APCSK9HTR1DNR3C1NR4A2
SCHEMBL8260107 0.80 HTR2A (0.73) HTR2APCSK9HTR1DNR3C1NR4A2
SCHEMBL1971468 0.79 HTR2A (1.00) HTR2AHTR1DHTR2CHTR2BHTR1A
SCHEMBL5273347 0.79 KDM4E (0.62) HTR2APCSK9HTR1DNR3C1NR4A2
SCHEMBL13533551 0.79 HTR2A (0.61) HTR2APCSK9HTR1DNR3C1NR3C2
SCHEMBL10919832 0.79 HTR2A (0.71) HTR2APCSK9HTR1DNR3C1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
CN-101466685-A Enzyme inhibitors PROBIODRUG AG (DE) 2009-06-24 CN disclosed
EP-2007734-A1 ENZYME INHIBITORS Probiodrug AG (DE) 2008-12-31 EP disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 WO disclosed
EP-0287468-B1 17-AZA-20,21-DINOREBURNAMENINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-03-10 EP disclosed
EP-0287468-A2 17-Aza-20,21-dinoreburnamenine derivatives, process and intermediates for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1988-10-19 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 (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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA HTR2A 965/4885PCSK9 69/4885HTR1D 679/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 HTR2A 833/4885PCSK9 269/4885HTR1D 547/4885

“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.