SCHEMBL1875508

SCHEMBL1875508

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.41
TRPA1 O75762 1/20 0.39
MAPT P10636 2/20 0.38
PLAT P00750 1/20 0.37
MEN1 O00255 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
PTPN1 P18031 1/20 0.37
CETP P11597 1/20 0.35
MTOR P42345 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1874593 0.90 TACR1 (0.48) TACR1
SCHEMBL1874592 0.90 TACR1 (0.48) TACR1
SCHEMBL1873597 0.77 PLOD2 (0.46) TACR1TRPA1MAPTCASP3SENP7
SCHEMBL7565431 0.74 MAPT (0.47) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL7565428 0.74 MAPT (0.47) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL7347639 0.72 PTPN1 (0.46) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL7568322 0.72 HTR7 (0.45) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL7568325 0.72 HTR7 (0.45) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL7347640 0.72 PTPN1 (0.46) MAPTMEN1CASP3KMT2ATRPV1
SCHEMBL11907845 0.71 KMT2A (0.38) MAPTMEN1CASP3KMT2ATRPV1

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 10/4885TRPA1 537/4885MAPT 2336/4885

“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.