SCHEMBL5152847

SCHEMBL5152847

[O]N1CCCC1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.49
▸ MC3R P41968 2/20 0.49
▸ MC1R Q01726 2/20 0.49
▸ SCD5 Q86SK9 1/20 0.45
▸ ATM Q13315 2/20 0.44
▸ PIK3C3 Q8NEB9 2/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ SLC18A3 Q16572 1/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL16488227 0.78 HTR6 (0.54) —
SCHEMBL8565864 0.78 MC4R (0.46) MC4RMC3RMC1RSCD5GABRA1
SCHEMBL3764570 0.78 HTR6 (0.54) —
SCHEMBL11466316 0.78 MC4R (0.46) MC4RMC3RMC1RSCD5GABRA1
SCHEMBL23459127 0.77 SCD5 (0.57) MC4RMC3RMC1RSCD5GABRA1
SCHEMBL4151234 0.77 MC4R (0.43) MC4RMC3RMC1RSCD5GABRA1
SCHEMBL11371130 0.77 ABHD6 (0.43) MC4RMC3RMC1RSCD5GABRA1
SCHEMBL908981 0.77 SCD5 (0.57) MC4RMC3RMC1RSCD5GABRA1
SCHEMBL4151231 0.77 MC4R (0.46) MC4RMC3RMC1RSCD5ATM
SCHEMBL5530480 0.76 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 — — US claimed
EP-1737841-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS Astellas Pharma Inc. (JP) 2007-01-03 — — EP claimed
WO-2005095384-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-10-13 — — WO claimed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 — — US claimed
US-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 — — US disclosed
EP-1737841-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS Astellas Pharma Inc. (JP) 2007-01-03 — — EP disclosed
WO-2005095384-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-10-13 — — WO disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 — — US 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-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 MC4R 369/4885MC3R 299/4885MC1R 294/4885

“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.

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