SCHEMBL6425501

SCHEMBL6425501

Cc1c([C@@H](C)C(=O)NC(C)(C)C(=O)O)c2cc(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
ITGA5 P08648 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA3 P32297 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH1 P35367 1/20 0.35
CHRNA7 P36544 1/20 0.35
OPRK1 P41145 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
KCNH2 Q12809 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL6425503 1.00 SLC6A2 (0.35) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL5559346 0.91 AKR1C3 (0.37) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5559350 0.91 AKR1C3 (0.37) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5554314 0.91 KMT2A (0.35) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL6424081 0.90 PTGS2 (0.42) PTGS2AKR1C3AKR1C2
SCHEMBL6424086 0.90 PTGS2 (0.42) PTGS2AKR1C3AKR1C2
SCHEMBL5559999 0.89 CHRNA1 (0.35) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5560001 0.89 CHRNA1 (0.35) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5797105 0.89 PTGS2 (0.33) PTGS2SRCAKR1C3AKR1C2KDM4E
SCHEMBL5820788 0.89 PTGS2 (0.33) PTGS2SRCAKR1C3AKR1C2KDM4E

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
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 SLC6A2 1500/4885CHRNA1 3363/4885CHRNG 3353/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 SLC6A2 1779/4885CHRNA1 4371/4885CHRNG 4268/4885

“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.