SCHEMBL974854

SCHEMBL974854

CCOC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(OC)cc3)c3ccc(OC)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.37
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 5/20 0.36
P2RX3 P56373 3/20 0.36
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.34
HTT P42858 1/20 0.34
CCR5 P51681 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
SREBF1 P36956 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MGLL Q99685 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
SCHEMBL978429 0.90 SLC6A9 (0.36) OPRD1OPRM1ALDH1A1HPGDCCR5
SCHEMBL977037 0.90 MAPT (0.36) OPRD1ALDH1A1HTTCCR5KDM4E
SCHEMBL976537 0.90 ALOX15 (0.38) OPRD1
SCHEMBL977372 0.88 OPRD1 (0.36) OPRD1OPRM1ALDH1A1HPGDCCR5
SCHEMBL977048 0.88 ELANE (0.37) OPRD1MGLL
SCHEMBL30961574 0.86 OPRD1 (0.47) OPRD1OPRM1CCR5LMNAGAA
SCHEMBL30961564 0.86 OPRD1 (0.47) OPRD1OPRM1CCR5LMNAGAA
SCHEMBL30961524 0.86 OPRD1 (0.47) OPRD1OPRM1CCR5LMNAGAA
SCHEMBL979321 0.84 OPRD1 (0.35) OPRD1OPRM1ALDH1A1KDM4ELMNA
SCHEMBL975371 0.84 MGLL (0.37) OPRD1HTTKDM4ELMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP claimed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 US claimed
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US disclosed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US disclosed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B OPRD1 144/4885OPRM1 619/4885ALDH1A1 314/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B OPRD1 144/4885OPRM1 619/4885ALDH1A1 314/4885

“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.