SCHEMBL1879700

SCHEMBL1879700

NCC(COCc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.59
TSHR P16473 1/20 0.50
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
GABBR2 O75899 2/20 0.47
GABBR1 Q9UBS5 2/20 0.47
SLC1A1 P43005 1/20 0.44
HTR2A P28223 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
Hydrochloric Acid SCHEMBL1874510 0.98 TACR1 (0.57) TACR1TSHRCA1CA2CA7
SCHEMBL5102451 0.89 TACR1 (0.47) TACR1GABBR2GABBR1
SCHEMBL21239604 0.88 TACR1 (0.61) TACR1TSHRCA1CA2CA7
Hydrochloric Acid SCHEMBL1883137 0.87 TACR1 (0.46) TACR1GABBR2GABBR1
SCHEMBL5095821 0.84 TACR1 (0.52) TACR1
SCHEMBL5099163 0.84 TACR1 (0.70) TACR1
Hydrochloric Acid SCHEMBL1871311 0.82 TACR1 (0.68) TACR1
Hydrochloric Acid SCHEMBL1874446 0.82 TACR1 (0.51) TACR1
SCHEMBL2628027 0.82 TACR1 (0.47) TACR1TSHRGABBR2GABBR1HTR2A
SCHEMBL5109698 0.81 TACR1 (0.54) TACR1TAAR1

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 10/4885TSHR 1236/4885CA1 4198/4885

“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.