SCHEMBL2640127

SCHEMBL2640127

N=C(N)c1ccc2c(c1)C(CCNC(=O)c1ccc(-c3ccncc3)cc1)CO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2C P28335 1/20 0.48
F10 P00742 9/20 0.42
PRSS1 P07477 3/20 0.42
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
RPS6KA5 O75582 1/20 0.38
MAP4K4 O95819 1/20 0.38
PRKCG P05129 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MAPK1 P28482 1/20 0.38
AKT1 P31749 1/20 0.38
GSK3A P49840 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
SCHEMBL2639307 0.91 HTR1A (0.45) HTR1AHTR1DHTR2CF10PRSS1
SCHEMBL2638974 0.90 HTR1A (0.47) HTR1AHTR1DHTR2CF10PRSS1
SCHEMBL2640158 0.90 F10 (0.52) HTR1AHTR1DHTR2CF10PRSS1
SCHEMBL2640217 0.90 F10 (0.56) HTR1AHTR1DHTR2CF10PRSS1
SCHEMBL7420409 0.87 HTR1A (0.53) HTR1AHTR1DHTR2CF10ITGB3
SCHEMBL6210723 0.86 HTR1A (0.46) HTR1AHTR1DHTR2CF10PRSS1
SCHEMBL2639574 0.85 HTR1A (0.44) HTR1AHTR1DHTR2CF10PRSS1
SCHEMBL2640100 0.85 HTR1A (0.45) HTR1AHTR1DHTR2CF10ROCK2
SCHEMBL6212650 0.84 F10 (0.51) HTR1AHTR1DHTR2CF10PRSS1
SCHEMBL6213823 0.83 DRD2 (0.53) HTR1AHTR1DHTR2CROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829451-B2 2011-12-07 JP 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 HTR1A 1462/4885HTR1D 2054/4885HTR2C 1530/4885

“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.