SCHEMBL2640217

SCHEMBL2640217

N=C(N)c1ccc2c(c1)C(CCNC(=O)c1ccc(-c3cccnc3)cc1)CO2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.56
PRSS1 P07477 2/20 0.56
F2 P00734 2/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2C P28335 1/20 0.44
PTAFR P25105 3/20 0.41
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
NAMPT P43490 1/20 0.39
KLKB1 P03952 1/20 0.39
PLG P00747 1/20 0.39
PROC P04070 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HTR2A P28223 1/20 0.39
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL2638974 0.90 HTR1A (0.47) F10PRSS1F2HTR1AHTR1D
SCHEMBL2640127 0.90 HTR1A (0.48) F10PRSS1F2HTR1AHTR1D
SCHEMBL2640158 0.90 F10 (0.52) F10PRSS1HTR1AHTR1DHTR2C
SCHEMBL2639574 0.85 HTR1A (0.44) F10PRSS1F2HTR1AHTR1D
SCHEMBL7420409 0.85 HTR1A (0.53) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL6210723 0.82 HTR1A (0.46) F10PRSS1HTR1AHTR1DHTR2C
SCHEMBL2640100 0.81 HTR1A (0.45) F10HTR1AHTR1DHTR2CKLKB1
SCHEMBL6218479 0.80 HTR1A (0.44) HTR1AHTR1DHTR2CDRD2DRD3
SCHEMBL6212650 0.80 F10 (0.51) F10PRSS1F2HTR1AHTR1D
SCHEMBL2639752 0.80 F10 (0.47) F10PRSS1F2HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829451-B2 2011-12-07 JP claimed
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP claimed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US claimed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US claimed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP claimed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO claimed
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP disclosed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US disclosed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 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 (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-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 F10 4/4885PRSS1 248/4885F2 1/4885

“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.