SCHEMBL5456219

SCHEMBL5456219

C[C@H]1[C@H](NC(=O)c2cc(F)cc(F)c2)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.47
TAS1R2 Q8TE23 4/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
SLC6A9 P48067 4/20 0.41
TRPV1 Q8NER1 2/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MDM2 Q00987 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IDO1 P14902 1/20 0.35
TP53 P04637 1/20 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
SCHEMBL5454596 0.79 SLC6A9 (0.44) SLC6A9MDM2
SCHEMBL5461125 0.79 SLC6A9 (0.44) SLC6A9MDM2
SCHEMBL5461121 0.79 SLC6A9 (0.44) SLC6A9MDM2
SCHEMBL14564676 0.74 GAA (0.48) SLC6A9KMT2A
SCHEMBL14564672 0.73 TRPV1 (0.42) SLC6A9TRPV1NPC1
SCHEMBL14564673 0.71 CRHBP (0.47) KMT2A
SCHEMBL5449815 0.71 CRHBP (0.47) KMT2A
SCHEMBL5454728 0.71 CRHBP (0.47) KMT2A
SCHEMBL1528939 0.69 MGLL (0.44) SLC6A9MDM2
SCHEMBL2522597 0.69 CYP2C9 (0.39) SLC6A9TRPV1HTR3EHTR3BALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-03-22 US claimed
EP-1718609-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-11-08 EP claimed
WO-2005077897-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-08-25 WO claimed
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2005-08-25 US claimed
US-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-03-22 US disclosed
US-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-03-22 US disclosed
US-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-03-22 US disclosed
EP-1718609-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-11-08 EP disclosed
WO-2005077897-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-08-25 WO disclosed
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2005-08-25 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-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR TAS1R3 3986/4885TAS1R2 3546/4885TAS1R1 3343/4885
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR TAS1R3 3986/4885TAS1R2 3546/4885TAS1R1 3343/4885

“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.