SCHEMBL5677126

SCHEMBL5677126

CCN[C@@H]1Cc2ccccc2[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CNR1 P21554 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
PYGL P06737 2/20 0.38
OPRM1 P35372 2/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5677122 1.00 ADORA2A (0.40) ADORA2AADORA1CNR1SIGMAR1MAOB
SCHEMBL15613459 0.83 HTR1A (0.47) MAOBMAOAMTNR1AMTNR1BTSHR
SCHEMBL10613374 0.83 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL10927874 0.81 TSHR (0.48) MEN1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL10927872 0.81 TSHR (0.48) MEN1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL5680214 0.80 SIGMAR1 (0.44) ADORA2AADORA1CNR1SIGMAR1PYGL
SCHEMBL5675579 0.80 SIGMAR1 (0.44) ADORA2AADORA1CNR1SIGMAR1PYGL
SCHEMBL5675691 0.80 SIGMAR1 (0.44) ADORA2AADORA1CNR1SIGMAR1PYGL
SCHEMBL5675575 0.80 SIGMAR1 (0.44) ADORA2AADORA1CNR1SIGMAR1PYGL
SCHEMBL12362855 0.80 KDM1A (0.45) ADORA2AADORA1MAOBMAOAPYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414426-B1 CARBOCYCLIC HYDRAZINO INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES BIOTIE THERAPIES CORP (FI) 2006-03-01 EP disclosed
US-6982286-B2 Carbocyclic hydrazino inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP. (FI) 2006-01-03 US disclosed
US-20040236108-A1 Carbocyclic hydrazino inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORPORATION (FI) 2004-11-25 US disclosed
US-20030125360-A1 Carbocyclic hydrazino inhibitors of copper-containing amine oxidases BIOTIE THERAPIES CORP. 2003-07-03 US 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-20040236108-A1 Carbocyclic hydrazino inhibitors of copper-containing amine oxidases AOC2, VCAM1, AOC3 ADORA2A 3307/4885ADORA1 1769/4885CNR1 1276/4885
US-20030125360-A1 Carbocyclic hydrazino inhibitors of copper-containing amine oxidases AOC2, AOC3, AOC1 ADORA2A 3240/4885ADORA1 1740/4885CNR1 1207/4885

“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.