SCHEMBL1870321

SCHEMBL1870321

O=C(O)CC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.64
CACNA1F O60840 3/20 0.64
CACNA1D Q01668 3/20 0.64
CACNA1S Q13698 3/20 0.64
CACNA1C Q13936 3/20 0.64

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
SCHEMBL1874317 0.90 TACR1 (0.52) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL1872672 0.86 TACR1 (0.62) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL1876238 0.86 TACR1 (0.60) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5102957 0.84 TACR1 (0.60) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL1874266 0.83 TACR1 (0.56) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5102970 0.82 TACR1 (0.61) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5108949 0.82 TACR1 (0.57) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL19305330 0.82 GABBR2 (0.54) TACR1
Hydrochloric Acid SCHEMBL1875759 0.82 TACR1 (0.71) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL1872455 0.81 TACR1 (0.56) TACR1CACNA1FCACNA1DCACNA1SCACNA1C

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 TACR1 10/4885CACNA1F 1854/4885CACNA1D 1536/4885

“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.