SCHEMBL7418889

SCHEMBL7418889

N=C(N)NOCCCOc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 2/20 0.47
PRSS1 P07477 10/20 0.46
PRMT1 Q99873 3/20 0.42
F2 P00734 3/20 0.42
ST14 Q9Y5Y6 2/20 0.42
PLG P00747 2/20 0.42
PLAU P00749 1/20 0.42
PRMT5 O14744 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
PTP4A3 O75365 1/20 0.42
SLC22A3 O75751 1/20 0.42
F10 P00742 1/20 0.42
S100B P04271 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
AOC1 P19801 1/20 0.42

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
SCHEMBL1283675 0.78 PRSS1 (0.42) TMPRSS2PRSS1PRMT1F2ST14
SCHEMBL10718792 0.72
SCHEMBL6993806 0.72 L3MBTL1 (0.43) TMPRSS2PRSS1PRMT1F2ST14
SCHEMBL3873648 0.71 PRSS1 (0.51) TMPRSS2PRSS1PRMT1F2ST14
SCHEMBL10785918 0.71 KCNA3 (0.43) PRSS1DRD3
SCHEMBL5583706 0.70 KCNA3 (0.65) PRSS1F2PLGDRD3PRSS2
SCHEMBL249623 0.70 ALDH1A1 (0.46) TMPRSS2PRSS1PRMT1F2ST14
SCHEMBL2182069 0.70 TAAR1 (0.46)
SCHEMBL921280 0.69 KCNA3 (0.44) TMPRSS2PRSS1PRMT1F2ST14
SCHEMBL7559437 0.69 HDAC1 (0.46) TMPRSS2PRSS1PRMT1F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020061885-A1 Tetrahydroisoquinoline-3-carboxylic acid alkoxyguanidines as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-05-23 US disclosed
US-20020037897-A1 Tetrahydroisoquinoline-3-carboxylic acid alkoxyguanidines as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 US disclosed
WO-2002012193-A1 TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID ALKOXYGUANIDINES AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-02-14 WO disclosed
US-6344484-B1 TREATMENT OF TUMOR GROWTH, METASTASIS, OSTEOPOROSIS, RESTENOSIS, INFLAMMATION, MACULAR DEGENERATION, DIABETIC RETINOPATHY, AND RHEUMATOID ARTHRITIS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-05 US disclosed
EP-1159262-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000047552-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO 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 (2 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-20020037897-A1 Tetrahydroisoquinoline-3-carboxylic acid alkoxyguanidines as integrin antagonists ADGRE5, ITGAL, VCAM1 TMPRSS2 1823/4885PRSS1 3989/4885PRMT1 887/4885
US-20020061885-A1 Tetrahydroisoquinoline-3-carboxylic acid alkoxyguanidines as integrin antagonists ITGAL, ITGAV, ITGB3 TMPRSS2 3113/4885PRSS1 4336/4885PRMT1 1700/4885

“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.