SCHEMBL8340387

SCHEMBL8340387

CCC1Cc2cccnc2CC1CC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.48
DRD2 P14416 1/20 0.48
CYP2D6 P10635 4/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
GRIN1 Q05586 4/20 0.33
GRIN2B Q13224 4/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADORA2A P29274 1/20 0.32
OPRM1 P35372 1/20 0.30

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
SCHEMBL9611923 0.84 DRD2 (0.42) DRD3DRD2CYP2D6DPP8DPP9
SCHEMBL12829216 0.84 DRD2 (0.42) DRD3DRD2CYP2D6DPP8DPP9
SCHEMBL13526665 0.82 DRD2 (0.41) DRD3DRD2CYP2D6
SCHEMBL13291929 0.81 DRD3 (0.48) DRD3DRD2CYP2D6DPP8DPP9
SCHEMBL12237659 0.75 DRD2 (0.36) DRD3DRD2CYP2D6
SCHEMBL14301376 0.75 DRD2 (0.36) DRD3DRD2CYP2D6
SCHEMBL14416074 0.75 DRD2 (0.36) DRD3DRD2CYP2D6ADRA2AADRA2B
SCHEMBL12731159 0.75 DRD2 (0.36) DRD3DRD2CYP2D6ADRA2AADRA2B
SCHEMBL15107755 0.75 DRD2 (0.36) DRD3DRD2CYP2D6ADRA2AADRA2B
SCHEMBL14490658 0.75 DRD3 (0.44) DRD3DRD2CYP2D6GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383644-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-02-26 US disclosed
EP-2471533-A1 Aryl carbonyl derivatives as therapeutic agents Novo Nordisk A/S (DK) 2012-07-04 EP disclosed
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith TRANSTECH PHARMA, INC. (US) 2009-02-05 US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 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 (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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B DRD3 4032/4885DRD2 4530/4885CYP2D6 3386/4885
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith AGER, APP, BACE1 DRD3 2918/4885DRD2 2674/4885CYP2D6 4714/4885
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 DRD3 3610/4885DRD2 3035/4885CYP2D6 1355/4885

“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.