SCHEMBL835462

SCHEMBL835462

COc1c(C)ccc2c1CCC2C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.52
ADRA2A P08913 1/20 0.52
MAOB P27338 1/20 0.35
PARP1 P09874 1/20 0.34
GRM7 Q14831 2/20 0.34
DRD2 P14416 4/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
HTR1A P08908 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
HTR5A P47898 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
CYP2D6 P10635 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL13708660 0.82 PARP1 (0.49) ADRA1AMAOBPARP1DRD2DRD3
SCHEMBL414118 0.77 KDM4E (0.42) ADRA1AADRA2AHTR2CMEN1KMT2A
SCHEMBL13284289 0.76 PARP1 (0.53) ADRA1AMAOBPARP1ACHE
SCHEMBL19999344 0.76 ADRA2A (0.44) ADRA1AADRA2AGRM7DRD2DRD4
SCHEMBL10165962 0.76 ADRA1A (0.47) ADRA1AADRA2APARP1GRM7CYP1A2
SCHEMBL10165961 0.74 ADRA1A (0.46) ADRA1AADRA2APARP1GRM7CYP1A2
SCHEMBL12807493 0.74 ADRA2A (0.40) ADRA1AADRA2AHTR2C
SCHEMBL11957269 0.73 HSD11B1 (0.54) ADRA1AADRA2ADRD2HTR2AHTR2C
SCHEMBL11957265 0.73 HSD11B1 (0.54) ADRA1AADRA2ADRD2HTR2AHTR2C
SCHEMBL11957282 0.73 HSD11B1 (0.54) ADRA1AADRA2ADRD2HTR2AHTR2C

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
US-8378118-B2 Pyrazole-based thyroid receptor compounds TORRENT PHARMACEUTICALS LTD. (IN) 2013-02-19 US disclosed
US-20120202816-A1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS, LTD. (IN) 2012-08-09 US disclosed
US-8143424-B2 Thyroid like compounds TORRENT PHARMACEUTICALS LTD. (IN) 2012-03-27 US disclosed
EP-2061766-B1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD (IN) 2010-08-18 EP disclosed
US-20100168110-A1 Novel Compounds TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-01 US disclosed
EP-2061766-A2 NOVEL COMPOUNDS Torrent Pharmaceuticals Ltd (IN) 2009-05-27 EP disclosed
WO-2008149379-A2 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD. (IN) 2008-12-11 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-20120202816-A1 NOVEL COMPOUNDS TSHR, THRB, GPR119 ADRA1A 173/4885ADRA2A 320/4885MAOB 1441/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 ADRA1A 173/4885ADRA2A 320/4885MAOB 1441/4885

“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.