SCHEMBL19929307

SCHEMBL19929307

Cc1nc([N+](=O)[O-])cn1C[C@@](C)(O)Oc1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
KCNH2 Q12809 6/20 0.44
CHRM4 P08173 2/20 0.42
MCHR1 Q99705 6/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
FPR2 P25090 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
CHRM1 P11229 1/20 0.39
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 1/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL22499802 0.82 PTGS1 (0.57) PTGS1SLC6A2SLC6A4KCNH2CHRM4
SCHEMBL19809307 0.82 PTGS1 (0.57) PTGS1SLC6A2SLC6A4KCNH2CHRM4
SCHEMBL2951490 0.82 PTGS1 (0.57) PTGS1SLC6A2SLC6A4KCNH2CHRM4
SCHEMBL21216981 0.79 PTGS1 (0.59) PTGS1SLC6A2SLC6A4KCNH2CHRM4
SCHEMBL16556798 0.78 PTGS1 (0.58) PTGS1SLC6A2SLC6A4KCNH2SCN5A
SCHEMBL5540739 0.76 PTGS1 (0.48) PTGS1SLC6A2SLC6A4KCNH2CHRM4
SCHEMBL13281044 0.75 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2CHRM4
SCHEMBL13281394 0.75 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2CHRM4
SCHEMBL13281047 0.75 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2CHRM4
SCHEMBL13281155 0.75 PTGS1 (0.55) PTGS1SLC6A2SLC6A4KCNH2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065931-A1 METHOD FOR PRODUCING 1-(4-HYDROXYPHENYL)-4-(4-TRIFLUOROMETHOXYPHENOXY)PIPERIDINE OR SALT THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-03-08 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 (1 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-20180065931-A1 METHOD FOR PRODUCING 1-(4-HYDROXYPHENYL)-4-(4-TRIFLUOROMETHOXYPHENOXY)PIPERIDINE OR SALT THEREOF DHPS, PAH, HPD PTGS1 322/4885SLC6A2 1433/4885SLC6A4 643/4885

“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.