SCHEMBL4807233

SCHEMBL4807233

CCOC(=O)/C(=C\CN(C)C)n1cncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
HTT P42858 6/20 0.41
HSP90AA1 P07900 2/20 0.41
LMNA P02545 6/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 5/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
MITF O75030 2/20 0.35
ATM Q13315 4/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 2/20 0.32
XBP1 P17861 2/20 0.32
NPSR1 Q6W5P4 2/20 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
SCHEMBL2571669 0.83 LMNA (0.54) FAAHMGLLMAPTSMN1; SMN2HTT
SCHEMBL3705963 0.83 LMNA (0.54) FAAHMGLLMAPTSMN1; SMN2HTT
SCHEMBL14877232 0.73 FAAH (0.51) FAAHMGLLMAPTSMN1; SMN2HTT
SCHEMBL14877230 0.73 FAAH (0.51) FAAHMGLLMAPTSMN1; SMN2HTT
SCHEMBL22304265 0.72 FAAH (0.66) FAAHMGLLMAPTSMN1; SMN2HTT
SCHEMBL18381526 0.72 FAAH (0.48) FAAHMGLLMAPTSMN1; SMN2HTT
SCHEMBL14877400 0.68 FAAH (0.46) FAAHMGLLMAPTSMN1; SMN2HTT
SCHEMBL14877398 0.68 FAAH (0.46) FAAHMGLLMAPTSMN1; SMN2HTT
SCHEMBL9584019 0.67 FAAH (0.51) FAAHMGLLMAPTSMN1; SMN2HTT
SCHEMBL9584008 0.67 FAAH (0.51) FAAHMGLLMAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 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-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK FAAH 4768/4885MGLL 4740/4885MAPT 4854/4885

“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.