SCHEMBL2884102

SCHEMBL2884102

C=C1CCc2cccnc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CRBN Q96SW2 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
IDH1 O75874 8/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
APP P05067 1/20 0.33
SNCA P37840 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL20206911 0.79 ADRA2A (0.38) CYP1A2SMN1; SMN2CRBNADRA2AADRA2B
SCHEMBL247150 0.79 CRBN (0.50) CYP1A2SMN1; SMN2CRBNGSK3BNPC1
Hydrochloric Acid SCHEMBL30515324 0.77 CRBN (0.49) CYP1A2SMN1; SMN2CRBNADRA2AADRA2B
SCHEMBL19461351 0.74 CYP1A2 (0.42) CYP1A2SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL1093770 0.72 MAPT (0.53) CYP1A2SMN1; SMN2CRBNADRA2AADRA2B
SCHEMBL6001078 0.72 PDPK1 (0.42) CYP1A2SMN1; SMN2CRBNADRA2AADRA2B
SCHEMBL17881248 0.72 CRBN (0.40) CRBNIDH1GSK3B
SCHEMBL15985267 0.72 NPC1 (0.50) CYP1A2SMN1; SMN2IDH1MAPTNPC1
SCHEMBL3964273 0.70 ADRA2A (0.43) CYP1A2SMN1; SMN2CRBNADRA2AADRA2B
SCHEMBL9755377 0.70 CYP1A2 (0.36) CYP1A2SMN1; SMN2CRBNADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 CYP1A2 3690/4885SMN1; SMN2 1453/4885CRBN 3470/4885

“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.