SCHEMBL3011074

SCHEMBL3011074

NN1CCC(Sc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
DRD4 P21917 1/20 0.39
GRIN2B Q13224 4/20 0.35
GRIN1 Q05586 2/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MGLL Q99685 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL102816 0.80 CARM1 (0.50) CARM1PRMT6DRD4GRIN2BGRIN1
SCHEMBL12110641 0.80 CARM1 (0.50) CARM1PRMT6DRD4GRIN2BGRIN1
SCHEMBL4864451 0.80 CARM1 (0.61) CARM1PRMT6DRD4MAOBOPRM1
SCHEMBL9079881 0.78 CARM1 (0.41) CARM1PRMT6DRD4GRIN2BGRIN1
SCHEMBL8096317 0.77 CARM1 (0.50) CARM1PRMT6DRD4DDB1CRBN
SCHEMBL4696488 0.76 MAOA (0.48) CARM1PRMT6DRD4DDB1CRBN
SCHEMBL576029 0.76 MAOA (0.53) CARM1PRMT6DDB1CRBNMAOA
SCHEMBL13212034 0.76 CARM1 (0.60) CARM1PRMT6DRD4GRIN2BGRIN1
SCHEMBL3125608 0.76 CARM1 (0.49) CARM1PRMT6DRD4GRIN2BGRIN1
SCHEMBL5883656 0.75 CARM1 (0.44) CARM1PRMT6DDB1CRBNMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US disclosed
EP-2205601-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS Novartis Ag (CH) 2010-07-14 EP disclosed
WO-2009050199-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS NOVARTIS AG (CH) 2009-04-23 WO disclosed
WO-1998016539-A1 NOVEL THERAPEUTICALLY ACTIVE ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1998-04-23 WO disclosed
WO-1997033591-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed
US-5606065-A ANTAGONIST OF NEUROKININ RECEIVERS SANOFI (FR) 1997-02-25 US disclosed
US-5589467-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1996-12-31 US disclosed
US-5578582-A Methods of treating ischemia with C2, N6 -disubstituted adenosine derivatives NOVO NORDISK A/S (DK) 1996-11-26 US disclosed
EP-0719275-A1 CHEMICAL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-07-03 EP disclosed
US-5432164-A Anticonvulsants NOVO NORDISK A/S (DK) 1995-07-11 US disclosed
US-5411971-A N-alkylenepiperidino compounds, their enantiomers and pharmaceutical compositions ELF SANOFI (FR) 1995-05-02 US disclosed
WO-1995007921-A1 CHEMICAL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-03-23 WO disclosed
EP-0609375-A1 NOVEL 2,6-DISUBSTITUTED PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-08-10 EP disclosed
WO-1993008206-A1 NOVEL 2,6-DISUBSTITUTED PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-04-29 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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 CARM1 2767/4885PRMT6 2293/4885DRD4 1822/4885

“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.