SCHEMBL4934774

SCHEMBL4934774

CN(C)C(=O)c1ncco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.41
CES1 P23141 5/20 0.40
CHRNA4 P43681 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
NCEH1 Q6PIU2 1/20 0.37
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL28423102 0.81 FAAH (0.37) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL248292 0.76
SCHEMBL1231949 0.75 FAAH (0.47) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL2170367 0.73
SCHEMBL287187 0.73
SCHEMBL5610346 0.72 FAAH (0.42) FAAHCES1CHRNA4CHRNB2CHRNB4
SCHEMBL20029197 0.72 HTT (0.49) FAAHCES1NCEH1ALDH1A1CYP1A2
SCHEMBL10910099 0.71
SCHEMBL6632187 0.71
SCHEMBL11496060 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 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 (3 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R FAAH 502/4885CES1 741/4885CHRNA4 4151/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 FAAH 1657/4885CES1 1897/4885CHRNA4 4358/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 FAAH 2841/4885CES1 847/4885CHRNA4 3227/4885

“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.