SCHEMBL1873419

SCHEMBL1873419

c1ccc(COc2ccccc2CCN2CCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.58
▸ SLC6A2 P23975 2/20 0.58
▸ SLC6A4 P31645 2/20 0.58
▸ SLC6A3 Q01959 2/20 0.58
▸ DRD2 P14416 1/20 0.56
▸ KCNH2 Q12809 4/20 0.55
▸ SIGMAR1 Q99720 4/20 0.54
▸ HTR6 P50406 1/20 0.52
▸ ABCB1 P08183 2/20 0.49
▸ LTA4H P09960 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.48
▸ DRD1 P21728 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD5 P21918 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ DRD3 P35462 1/20 0.47

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
SCHEMBL11262935 0.80 SIGMAR1 (0.61) DRD2KCNH2SIGMAR1ABCB1DRD1
SCHEMBL8672312 0.80 SIGMAR1 (0.79) SLC6A2SLC6A4SLC6A3DRD2KCNH2
Hydrochloric Acid SCHEMBL11257115 0.79 SIGMAR1 (0.59) DRD2KCNH2SIGMAR1ABCB1DRD1
SCHEMBL5751156 0.78 HRH1 (0.77) DRD2KCNH2SIGMAR1LTA4HDRD1
SCHEMBL41969 0.77 SIGMAR1 (0.79) HTR1ASLC6A4SLC6A3DRD2KCNH2
SCHEMBL3963041 0.77 SIGMAR1 (0.79) HTR1ASLC6A4SLC6A3DRD2KCNH2
Hydrochloric Acid SCHEMBL2195558 0.75 SIGMAR1 (0.77) HTR1ASLC6A4SLC6A3DRD2KCNH2
Hydrochloric Acid SCHEMBL16739273 0.75 SIGMAR1 (0.77) HTR1ASLC6A4SLC6A3DRD2KCNH2
SCHEMBL29393817 0.75 SIGMAR1 (0.77) HTR1ASLC6A4SLC6A3DRD2KCNH2
SCHEMBL4626033 0.75 THRA (0.53) HTR1ASLC6A2SLC6A4SLC6A3SIGMAR1

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 HTR1A 70/4885SLC6A2 49/4885SLC6A4 12/4885

“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.

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