SCHEMBL4041592

SCHEMBL4041592

C=CCOC(=O)N1CC(O)C2NCC=C21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.35
MGLL Q99685 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP3A4 P08684 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
SCHEMBL4037917 0.75 TSHR (0.38) FAAHMGLLCYP19A1CYP3A4TP53
SCHEMBL4043279 0.72 FAAH (0.36) FAAHMGLLCYP19A1TP53TSHR
SCHEMBL6235468 0.69 CYP19A1 (0.33) FAAHMGLLCYP19A1CYP3A4TP53
SCHEMBL3947334 0.63 CYP19A1 (0.32) FAAHCYP19A1
SCHEMBL6398205 0.63 LMNA (0.38) FAAHMGLLCYP3A4TSHRLMNA
SCHEMBL4185530 0.63 FAAH (0.39) FAAHMGLLCYP3A4TSHRLMNA
SCHEMBL7563095 0.61 MAPK1 (0.39) FAAHMGLLCYP19A1CYP3A4TP53
SCHEMBL4194016 0.61 GAA (0.40) FAAHMGLLCYP3A4LMNAMAPK1
SCHEMBL30900666 0.60 CYP19A1 (0.32) FAAHMGLLCYP19A1
SCHEMBL10547797 0.60 CYP3A4 (0.35) FAAHMGLLCYP19A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS FAAH 2820/4885MGLL 4115/4885CYP19A1 1136/4885

“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.