SCHEMBL26337264

SCHEMBL26337264

Cc1cnc(-c2ccccc2C#N)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
GABRG2 P18507 5/20 0.43
GABRB3 P28472 5/20 0.43
GABRA1 P14867 4/20 0.43
GABRA2 P47869 4/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
ESR2 Q92731 1/20 0.42
OPRL1 P41146 1/20 0.41
PTGES O14684 1/20 0.41
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HPGD P15428 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL16148932 0.81 ALOX5AP (0.43) TSHRGABRG2GABRB3GABRA1GABRA5
SCHEMBL23559755 0.81 OPRL1 (0.39) TSHRGABRG2GABRB3GABRA1GABRA2
SCHEMBL27946473 0.81 CYP1A2 (0.42) TSHRGABRG2GABRB3GABRA5GABRA3
SCHEMBL19105552 0.81 ALDH1A1 (0.42) TSHRGABRG2GABRB3GABRA1GABRA2
SCHEMBL6131063 0.80 ESR2 (0.47) TSHRGABRG2GABRB3GABRA1GABRA5
SCHEMBL27928925 0.80 NPC1 (0.53) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL12679751 0.79 GABRG2 (0.43) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL7015125 0.79 CCR1 (0.50) TSHRGABRG2GABRB3GABRA1GABRA2
SCHEMBL8965456 0.77 ALDH1A1 (0.39) TSHRGABRG2GABRB3GABRA1GABRA5
SCHEMBL8359938 0.77 ESR2 (0.44) TSHRGABRG2GABRB3GABRA1GABRA5

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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
CN-104560023-A Organic electroluminescent material, preparation method of organic electroluminescent material and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2015-04-29 CN disclosed
CN-104342114-A Organic electro-phosphorescent material and preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2015-02-11 CN disclosed
CN-104327829-A Blue ray organic electroluminescent material and preparation method and application thereof OCEANS KING LIGHTING SCIENCE 2015-02-04 CN disclosed
CN-104327828-A Blue ray organic electroluminescent material and preparation method and application thereof OCEANS KING LIGHTING SCIENCE 2015-02-04 CN 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 (1 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 TSHR 2261/4885GABRG2 244/4885GABRB3 45/4885

“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.