SCHEMBL19565697

SCHEMBL19565697

COc1cc(N(Cc2ccccc2)CC2COC(NC3=NC(CN(Cc4ccccc4)c4ccc(F)c(OC)c4)CO3)=N2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.53
LTC4S Q16873 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
REN P00797 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
SCHEMBL2082341 0.88 TAAR1 (0.53) TAAR1
SCHEMBL29920949 0.88 TAAR1 (0.53) TAAR1
SCHEMBL2082338 0.88 TAAR1 (0.53) TAAR1
SCHEMBL20972890 0.80 SLC16A3 (0.37) LTC4SSMN1; SMN2SLC16A3SLC16A1KDM4C
SCHEMBL2079030 0.79 TAAR1 (0.52) TAAR1LTC4S
SCHEMBL2079027 0.79 TAAR1 (0.52) TAAR1LTC4S
SCHEMBL2081964 0.77 TAAR1 (0.52) TAAR1
SCHEMBL2081963 0.77 TAAR1 (0.52) TAAR1
SCHEMBL2081176 0.73 TAAR1 (0.64) TAAR1
SCHEMBL2080124 0.73 TAAR1 (0.64) TAAR1

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
US-10858326-B2 Oxazoline pseudodimers, pharmaceutical compositions and the use thereof PURDUE PHARMA L.P. (US) 2020-12-08 US disclosed
US-20190144400-A1 OXAZOLINE PSEUDODIMERS, PHARMACEUTICAL COMPOSITIONS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2019-05-16 US disclosed
WO-2017192858-A1 OXAZOLINE PSEUDODIMERS, PHARMACEUTICAL COMPOSITIONS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2017-11-09 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-10858326-B2 Oxazoline pseudodimers, pharmaceutical compositions and the use thereof OPRM1, OPRD1, CYP3A7 TAAR1 2075/4885LTC4S 2541/4885SMN1; SMN2 627/4885
US-20190144400-A1 OXAZOLINE PSEUDODIMERS, PHARMACEUTICAL COMPOSITIONS AND THE USE THEREOF OPRM1, OPRD1, CYP3A7 TAAR1 2075/4885LTC4S 2541/4885SMN1; SMN2 627/4885

“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.