SCHEMBL1873597

SCHEMBL1873597

O=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.46
TACR1 P25103 9/20 0.46
IDO1 P14902 2/20 0.42
TRPA1 O75762 1/20 0.42
CACNA1F O60840 2/20 0.42
CACNA1D Q01668 2/20 0.42
CACNA1S Q13698 2/20 0.42
CACNA1C Q13936 2/20 0.42
MLYCD O95822 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1872900 0.87 TACR1 (0.52) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL1875508 0.77 TACR1 (0.41) TACR1TRPA1CASP3SENP7ALDH1A1
SCHEMBL27622766 0.77 LMNA (0.60) LMNAMAPK1CASP3SENP7SENP6
SCHEMBL7496743 0.77 IDO1 (0.52) TACR1IDO1CACNA1FCACNA1DCACNA1S
SCHEMBL7345341 0.77 PLOD2 (0.56) PLOD2LMNAMAPK1CASP3SENP7
SCHEMBL8880647 0.74 TACR1 (0.48) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5644297 0.72 TACR1 (0.52) TACR1IDO1CACNA1FCACNA1DCACNA1S
SCHEMBL1874317 0.71 TACR1 (0.52) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL12424195 0.70 MAOB (0.54) IDO1
SCHEMBL31423422 0.70 PLOD2 (0.55) PLOD2LMNAMAPK1CASP3SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1870396-B1 BENZYLOXYPROPYLAMINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2012-10-31 EP disclosed
US-7939552-B2 Tachykinin receptor anatgonist; good transfer into blood; long half-life; stability; bradycardial agents; antiinflammatory agents ; antallergens; analgesics; antiemetics; irritable bowel disorders; skin disorders; antidepressants; antiischemic agents ; anxiolytic agents; autoimmune diseases; muscle relax NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2011-05-10 US disclosed
US-20080262230-A1 Benzyloxypropylamine Derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2008-10-23 US disclosed
EP-1870396-A1 BENZYLOXYPROPYLAMINE DERIVATIVE Nippon Zoki Pharmaceutical Co. Ltd. (JP) 2007-12-26 EP 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-20080262230-A1 Benzyloxypropylamine Derivative BDKRB2, BDKRB1, PNMT PLOD2 3659/4885TACR1 10/4885IDO1 1680/4885

“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.