SCHEMBL4893130

SCHEMBL4893130

CCC(=NCc1ccccc1)NC#N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
NOS2 P35228 1/20 0.43
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIN2B Q13224 6/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
NAMPT P43490 6/20 0.39
SCN2A Q99250 1/20 0.35

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
SCHEMBL9315232 0.76 GRIN1 (0.59) NOS2GAACYP2C19GRIN2BGRIN1
SCHEMBL11743514 0.76 GRIN2B (0.59) P2RX7NOS2CYP1A2GAACYP2D6
SCHEMBL9315226 0.76 GRIN1 (0.59) NOS2GAACYP2C19GRIN2BGRIN1
SCHEMBL4891376 0.75 P2RX7 (0.44) P2RX7NOS2CYP1A2GAACYP2D6
SCHEMBL8375655 0.73 P2RX7 (0.54) P2RX7NOS2CYP1A2GAACYP2D6
SCHEMBL3968978 0.71 KMT2A (0.54) P2RX7NOS2CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL16372137 0.69 GRIN2B (0.61) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL11800955 0.68 GRIN1 (0.57) NOS2GAACYP2C19GRIN2BGRIN1
SCHEMBL11800959 0.68 GRIN1 (0.57) NOS2GAACYP2C19GRIN2BGRIN1
SCHEMBL4893125 0.67 MCL1 (0.46) GAAGRIN2BGRIN1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US claimed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
WO-2007073299-A1 IMIDAZOLES AS GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-06-28 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 (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-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators GABRB1, GABBR2, GABRB2 P2RX7 228/4885NOS2 1257/4885CYP1A2 701/4885

“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.