SCHEMBL5560440

SCHEMBL5560440

CNC(=O)[C@H](C)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KCNMA1 Q12791 1/20 0.34
IDO1 P14902 3/20 0.34
TRPV1 Q8NER1 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33
CHRNA7 P36544 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
SCHEMBL5560445 1.00 POLB (0.37) POLBCNR1CNR2ALDH1A1KDM4E
SCHEMBL5559486 0.90 SMN1; SMN2 (0.36) ALDH1A1KDM4ECHRNB2SLC6A2CHRNB4
SCHEMBL5559481 0.90 SMN1; SMN2 (0.36) ALDH1A1KDM4ECHRNB2SLC6A2CHRNB4
SCHEMBL5559520 0.90 TRPV1 (0.37) POLBCNR1CNR2TRPV1
SCHEMBL5559519 0.90 TRPV1 (0.37) POLBCNR1CNR2TRPV1
SCHEMBL5554699 0.89 PTGS2 (0.41) POLBCNR1CNR2ALDH1A1L3MBTL1
SCHEMBL5553556 0.89 PTGS2 (0.41) POLBCNR1CNR2ALDH1A1L3MBTL1
SCHEMBL5550614 0.89 PTGS2 (0.41) POLBCNR1CNR2ALDH1A1L3MBTL1
SCHEMBL5560454 0.89 ALDH1A1 (0.35) POLBCNR1CNR2ALDH1A1KDM4E
SCHEMBL5560450 0.89 ALDH1A1 (0.35) POLBCNR1CNR2ALDH1A1KDM4E

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
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP 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
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO 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 POLB 2692/4885CNR1 18/4885CNR2 9/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 POLB 1611/4885CNR1 55/4885CNR2 13/4885

“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.