SCHEMBL4709990

SCHEMBL4709990

CN(C)C(=O)C=CC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PADI4 Q9UM07 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL15900644 0.89 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12802832 0.89 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20863618 0.82 TRPM8 (0.37) ADH1CADH1ATRPM8HPGD
SCHEMBL6042965 0.78 ADH1C (0.37) ADH1CADH1ATRPM8CES2CES1
SCHEMBL809692 0.76 CES2 (0.35) GRIN1GRIN2BCES2CES1PADI4
SCHEMBL814591 0.76 CES2 (0.35) GRIN1GRIN2BCES2CES1PADI4
SCHEMBL761935 0.75 CES2 (0.38) GRIN1GRIN2BCES2CES1PADI4
SCHEMBL27919866 0.73 SLC6A1 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23749603 0.73 HTT (0.47) GRIN1GRIN2BCES2CES1PADI4
SCHEMBL9743609 0.73 HTT (0.47) GRIN1GRIN2BCES2CES1PADI4

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-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
EP-1511751-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS INC (US) 2008-03-19 EP disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION 2006-05-04 US disclosed
US-20040038993-A1 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents NEOGENESIS PHARMACEUTICALS, INC. 2004-02-26 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 (2 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-20040038993-A1 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents RNGTT, PNP, ZC3HAV1 ADH1C 1104/4885ADH1A 1681/4885CHRNB2 4882/4885
US-20060094706-A1 Pyrazolopyrimidines as protein kinase inhibitors CDKN1A, EIF2AK2, DCK ADH1C 2468/4885ADH1A 3294/4885CHRNB2 4836/4885

“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.