SCHEMBL5814751

SCHEMBL5814751

CNC(=O)[C@H](C)c1c(C)n(C(=O)c2ccc(Cl)c(F)c2)c2ccc(O)c(F)c12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
KCNQ3 O43525 2/20 0.32
KCNQ2 O43526 2/20 0.32
KCNE1 P15382 2/20 0.32
KCNQ1 P51787 2/20 0.32
KCNQ5 Q9NR82 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
PTGS2 P35354 5/20 0.32
MAPK1 P28482 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL5814754 1.00 MAOB (0.35) MAOBKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL5560604 0.93 ABCB11 (0.33) MAOBAKR1C3AKR1C2PTGS2MAPK1
SCHEMBL5560607 0.93 ABCB11 (0.33) MAOBAKR1C3AKR1C2PTGS2MAPK1
SCHEMBL5553638 0.91 MEN1 (0.34) MAOBKCNQ3KCNQ2AKR1C3AKR1C2
SCHEMBL5553642 0.91 MEN1 (0.34) MAOBKCNQ3KCNQ2AKR1C3AKR1C2
SCHEMBL5560060 0.90 PTGS2 (0.39) MAOBAKR1C3AKR1C2PTGS2SLC22A12
SCHEMBL5547164 0.90 PTGS2 (0.39) MAOBAKR1C3AKR1C2PTGS2SLC22A12
SCHEMBL5557078 0.90 PTGS2 (0.39) MAOBAKR1C3AKR1C2PTGS2SLC22A12
SCHEMBL5561117 0.90 TRPV1 (0.34) MAOBAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5561120 0.90 TRPV1 (0.34) MAOBAKR1C3AKR1C2PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 MAOB 181/4885KCNQ3 3015/4885KCNQ2 2615/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 MAOB 57/4885KCNQ3 4077/4885KCNQ2 3657/4885

“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.